Østnes Hanssen, Kine; Schuler, Bruno; Williams, Antony J.; Demissie, Taye B.; Hansen, Espen; Andersen, Jeanette hammer; Svenson, Johan; Blinov, Kirill; Repisky, Michal; Mohn, Fabian; Meyer, Gerhard; Svendsen, John Sigurd; Ruud, Kenneth; Elyashberg, Mikhail; Gross, Leo; Jaspars, Marcel; Isaksson, Johan. A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi. Angewandte Chemie International Edition 2012; Volum 51 (49). ISSN 1433-7851.s 12238 - 12241.s doi: 10.1002/anie.201203960.
Moitra, Torsha; Karak, Pijush; Chakraborty, Sayantani; Ruud, Kenneth; Chakrabarti, Swapan. Behind the scenes of spin-forbidden decay pathways in transition metal complexes. Physical Chemistry, Chemical Physics - PCCP 2021; Volum 23. ISSN 1463-9076.s 59 - 81.s doi: 10.1039/D0CP05108J. Alam, MD Mehboob; Beerepoot, Maarten; Ruud, Kenneth. A generalized few-state model for the first hyperpolarizability. Journal of Chemical Physics 2020; Volum 152. ISSN 0021-9606.s doi: 10.1063/5.0010231. Alam, Mehboob; Ruud, Kenneth. Two-photon absorption in host-guest complexes. Molecular Physics 2020; Volum 118. ISSN 0026-8976.s doi: 10.1080/00268976.2020.1777335. Olsen, Jógvan Magnus Haugaard; Reine, Simen Sommerfelt; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen O.H; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegård, Erik Donovan; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jørgen Aa.; Norman, Patrick. Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. (Fulltekst: http://aip.scitation.org/doi/10.1063/1.5144298 Journal of Chemical Physics 2020; Volum 152 (21). ISSN 0021-9606.s doi: 10.1063/1.5144298. Pomogaev, Vladimir; Chiodo, Sandro; Ruud, Kenneth; Kuznetsova, Rimma; Avramov, Pavel. Computational investigation on the photophysical properties of halogenated tetraphenyl BODIPY. Journal of Physical Chemistry C 2020; Volum 124 (20). ISSN 1932-7447.s 1100 - 1109.s doi: 10.1021/acs.jpcc.0c01742. Repisky, Michal; Komorovsky, Stanislav; Kadek, Marius; Konecny, Lukas; Ekström, Ulf Egil; Malkin, Elena; Kaupp, Martin; Ruud, Kenneth; Malkina, Olga L.; Malkin, Vladimir G.. ReSpect: Relativistic spectroscopy DFT program package. Journal of Chemical Physics 2020; Volum 152. ISSN 0021-9606.s doi: 10.1063/5.0005094. Konecny, Lukas; Repisky, Michal; Ruud, Kenneth; Komorovsky, Stanislav. Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations. Journal of Chemical Physics 2019; Volum 151 (19). ISSN 0021-9606.s doi: 10.1063/1.5128564. Pomogaev, Valdimir A; Avramov, Pavel V; Ruud, Kenneth. Photo-transformation trajectories of Nitro-Spiropyran in Hybrid Compounds with [60]Fullerene. Journal of Physical Chemistry C 2019; Volum 123 (30). ISSN 1932-7447.s 18215 - 18221.s doi: 10.1021/acs.jpcc.9b04197. Paul, Lopa; Moitra, Torsha; Ruud, Kenneth; Chakrabarti, Swapan. Strong Duschinsky Mixing Induced Breakdown of Kasha's Rule in an Organic Phosphor. The Journal of Physical Chemistry Letters 2019; Volum 10 (3). ISSN 1948-7185.s 369 - 374.s doi: 10.1021/acs.jpclett.8b03624. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions. (Fulltekst: https://arxiv.org/abs/1902.02828 Physical review B (PRB) 2019; Volum 99 (20). ISSN 2469-9950.s doi: 10.1103/PhysRevB.99.205103. Bora, Pankaj L; Novotny, Jan; Ruud, Kenneth; Komorovsky, Stanislav; Marek, Radek. Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts. Journal of Chemical Theory and Computation 2019; Volum 15 (1). ISSN 1549-9618.s 201 - 214.s doi: 10.1021/acs.jctc.8b00914. Pomogaev, Valdimir A; Ramazanov, Ruslan R; Ruud, Kenneth; Artyukhov, Victor Ya. Insight into the fluorescence quenching of Trp214 at HSA by the Dimetridazole ligand from simulation. Journal of Photochemistry and Photobiology A: Chemistry 2018; Volum 354. ISSN 1010-6030.s 86 - 100.s doi: 10.1016/j.jphotochem.2017.08.041. Demissie, Taye Beyene; Conradie, Jeanet; Vazquez-Lima, Hugo; Ruud, Kenneth; Ghosh, Abhik. Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}7 Complexes. (Fulltekst: https://pubs.acs.org/doi/pdf/10.1021/acsomega.8b01434 ACS Omega 2018; Volum 3 (9). ISSN 2470-1343.s 10513 - 10516.s doi: 10.1021/acsomega.8b01434. Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Ruud, Kenneth; Repisky, Michal. Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies. Journal of Chemical Physics 2018; Volum 149 (20). ISSN 0021-9606.s doi: 10.1063/1.5051032. Woywod, Clemens; Roy, Susmita; Maiti, Kiran; Ruud, Kenneth. An efficient pseudo-spectral method for the description of atomic electronic wave functions - Application to the hydrogen atom in a uniform magnetic field. Chemical Physics 2018; Volum 515. ISSN 0301-0104.s 299 - 314.s doi: 10.1016/j.chemphys.2018.09.025. Paul, Lopa; Banerjee, Ambar; Paul, Ankan; Ruud, Kenneth; Chakrabarti, Swapan. Unraveling the Microscopic Origin of Triplet Lasing from Organic Solids. The Journal of Physical Chemistry Letters 2018; Volum 9 (15). ISSN 1948-7185.s 4314 - 4318.s doi: 10.1021/acs.jpclett.8b02191. Beerepoot, Maarten; Alam, MD Mehboob; Bednarska, Joanna; Bartkowiak, Wojciech; Ruud, Kenneth; Zalesny, Robert. Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths. Journal of Chemical Theory and Computation 2018; Volum 14 (7). ISSN 1549-9618.s 3677 - 3685.s doi: 10.1021/acs.jctc.8b00245. Morgan, W. James; Matthews, Devin A; Ringholm, Magnus; Agarwal, Jay; Gong, Justin Z; Ruud, Kenneth; Allen, Wesley A; Stanton, John F.; Schaefer, Henry F.. Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde.. Journal of Chemical Theory and Computation 2018; Volum 14 (3). ISSN 1549-9618.s 1333 - 1350.s doi: 10.1021/acs.jctc.7b01138. Demissie, Taye Beyene; Ruud, Kenneth. Darmstadtium, roentgenium, and copernicium form strong bonds with cyanide. (Fulltekst: https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.25393 International Journal of Quantum Chemistry 2018; Volum 118 (1). ISSN 0020-7608.s 1 - 9.s doi: 10.1002/qua.25393. Di Remigio, Roberto; Repisky, Michal; Komorovsky, Stanislav; Hrobárik, Peter; Frediani, Luca; Ruud, Kenneth. Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts. (http://www.tandfonline.com/doi/suppl/10.1080/00268976.2016.1239846) Molecular Physics 2017; Volum 115 (1-2). ISSN 0026-8976.s 214 - 227.s doi: 10.1080/00268976.2016.1239846. Paul, Lopa; Chakrabarti, Swapan; Ruud, Kenneth. Anomalous phosphorescence from an organometallic white-light phosphor. The Journal of Physical Chemistry Letters 2017; Volum 8 (19). ISSN 1948-7185.s 4893 - 4897.s doi: 10.1021/acs.jpclett.7b02148. Demissie, Taye Beyene; Ruud, Kenneth; Hansen, Jørn H. Cryptophanes for Methane and Xenon Encapsulation: A Comparative Density Functional Theory Study of Binding Properties and NMR Chemical Shifts. Journal of Physical Chemistry A 2017; Volum 121 (50). ISSN 1089-5639.s 9669 - 9677.s doi: 10.1021/acs.jpca.7b10595. Alam, MD Mehboob; Misra, Ramprasad; Ruud, Kenneth. Interplay of twist angle and solvents with two-photon optical channel interference in aryl-substituted BODIPY dyes. (https://dataverse.no/dataset.xhtml?persistentId=doi:10.18710/LHCGYQ) Physical Chemistry, Chemical Physics - PCCP 2017; Volum 19. ISSN 1463-9076.s 29461 - 29471.s doi: 10.1039/c7cp05679f. Paul, Lopa; Chakrabarti, Swapan; Ruud, Kenneth. Origin of Dual-Peak Phosphorescence and Ultralong Lifetime of 4,6-Diethoxy-2-carbazolyl-1,3,5-triazine. The Journal of Physical Chemistry Letters 2017; Volum 8 (6). ISSN 1948-7185.s 1253 - 1258.s doi: 10.1021/acs.jpclett.7b00462. Anelli, Marco; Ringholm, Magnus; Ruud, Kenneth. Gauge-origin independent calculations of electric-field-induced second-harmonic generation circular intensity difference using London atomic orbitals. Molecular Physics 2017; Volum 115 (1-2). ISSN 0026-8976.s 241 - 251.s doi: 10.1080/00268976.2016.1249979. Alam, MD Mehboob; Beerepoot, Maarten; Ruud, Kenneth. Channel interference in multiphoton absorption. Journal of Chemical Physics 2017; Volum 146. ISSN 0021-9606.s 244116-1 - 244116-7.s doi: 10.1063/1.4990438. Friese, Daniel Henrik; Ruud, Kenneth. Three-photon circular dichroism: towards a generalization of chiroptical non-linear light absorption. Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (5). ISSN 1463-9076.s 4174 - 4184.s doi: 10.1039/c5cp07102j. Jaszuński, Michał; Antušek, Andrej; Demissie, Taye Beyene; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth. Indirect NMR spin-spin coupling constants in diatomic alkali halides. Journal of Chemical Physics 2016; Volum 145. ISSN 0021-9606.s 1 - 7.s doi: 10.1063/1.4972892. Cornaton, Yann; Ringholm, Magnus; Louant, Orian; Ruud, Kenneth. Analytic calculations of anharmonic infrared and Raman vibrational spectra. (Fulltekst: http://pubs.rsc.org/en/content/articlepdf/2016/cp/c5cp06657c Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (5). ISSN 1463-9076.s 4201 - 4215.s doi: 10.1039/c5cp06657c. Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L.; Ruud, Kenneth; Repisky, Michal. Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties. Journal of Chemical Theory and Computation 2016; Volum 12. ISSN 1549-9618.s 5823 - 5833.s doi: 10.1021/acs.jctc.6b00740. Jensen, Stig Rune; Flå, Tor; Jonsson, Dan Johan; Monstad, Rune Sørland; Ruud, Kenneth; Frediani, Luca. Magnetic properties with multiwavelets and DFT: The complete basis set limit achieved. Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (31). ISSN 1463-9076.s 21145 - 21161.s doi: 10.1039/c6cp01294a. Cornaton, Yann; Ringholm, Magnus; Ruud, Kenneth. Complete analytic anharmonic hyper-Raman scattering spectra. (Fulltekst: http://pubs.rsc.org/en/content/articlepdf/2016/cp/c6cp03463b Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (32). ISSN 1463-9076.s 22331 - 22342.s doi: 10.1039/c6cp03463b. Di Remigio, Roberto; Beerepoot, Maarten; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca. Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation. (http://www.rsc.org/suppdata/c6/cp/c6cp06814f/c6cp06814f1.zip) (Fulltekst: http://pubs.rsc.org/en/content/articlepdf/2017/cp/c6cp06814f Physical Chemistry, Chemical Physics - PCCP 2016; Volum 19. ISSN 1463-9076.s 366 - 379.s doi: 10.1039/C6CP06814F. Steindal, Arnfinn Hykkerud; Beerepoot, Maarten; Ringholm, Magnus; List, Nanna Holmgaard; Ruud, Kenneth; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard. Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems. (http://www.rsc.org/suppdata/c6/cp/c6cp05297e/c6cp05297e1.pdf) (Fulltekst: http://pubs.rsc.org/en/content/articlepdf/2016/cp/c6cp05297e Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (40). ISSN 1463-9076.s 28339 - 28352.s doi: 10.1039/c6cp05297e. Adrjan, Bożena; Makulski, Włodzimierz; Jackowski, Karol; Demissie, Taye Beyene; Ruud, Kenneth; Antušek, Andrej; Jaszuński, Michał. NMR absolute shielding scale and nuclear magnetic dipole moment of 207 Pb. (Fulltekst: http://pubs.rsc.org/en/content/articlepdf/2016/cp/c6cp01781a Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (24). ISSN 1463-9076.s 16483 - 16490.s doi: 10.1039/c6cp01781a. Demissie, Taye Beyene; Garabato, Brady D.; Ruud, Kenneth; Kozlowski, Pawel M.. Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism. (http://onlinelibrary.wiley.com/store/10.1002/anie.201606001/asset/supinfo/anie201606001-sup-0001-misc_information.pdf?v=1&s=c899ba140a90fdf8e2c3c828f4090ad579f17e46) Angewandte Chemie International Edition 2016; Volum 55 (38). ISSN 1433-7851.s 11503 - 11506.s doi: 10.1002/anie.201606001. Dodziuk, Helena; Ruud, Kenneth; Korona, Tatiana; Demissie, Taye Beyene. Chiral recognition by fullerenes: CHFClBr enantiomers in the C82 cage. (Fulltekst: http://pubs.rsc.org/en/content/articlepdf/2016/cp/c6cp05030a Physical Chemistry, Chemical Physics - PCCP 2016; Volum 18 (37). ISSN 1463-9076.s 26057 - 26068.s doi: 10.1039/c6cp05030a. Demissie, Taye Beyene; Dodziuk, Helena; Waluk, Jacek; Ruud, Kenneth; Pietrzak, Mariusz; Vetokhina, Volha; Szymański, Sławomir; Jaźwiński, Jarosław; Hopf, Henning. Structure, NMR and Electronic Spectra of [m.n]Paracyclophanes with Varying Bridges Lengths (m, n = 2-4). (http://pubs.acs.org/doi/suppl/10.1021/acs.jpca.5b12168) Journal of Physical Chemistry A 2016; Volum 120 (5). ISSN 1089-5639.s 724 - 736.s doi: 10.1021/acs.jpca.5b12168. Demissie, Taye Beyene; Jaszunski, Michal; Malkin, Elena; Komorovsky, Stanislav; Ruud, Kenneth. NMR shielding and spin–rotation constants in XCO (X = Ni, Pd, Pt) molecules. Molecular Physics 2015. ISSN 0026-8976.s doi: 10.1080/00268976.2014.993343. Xiao, Yunlong; Liu, Wenjian; Ruud, Kenneth. Relativistic Theory of Nuclear Spin-Rotation Tensor. Springer 2015 ISBN 978-3-642-41611-8.s doi: 10.1007/978-3-642-41611-8_16-1. Gohr, Sebastian; Hrobárik, Peter; Repisky, Michal; Komorovsky, Stanislav; Ruud, Kenneth; Kaupp, Martin. Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects. Journal of Physical Chemistry A 2015; Volum 119 (51). ISSN 1089-5639.s 12892 - 12905.s doi: 10.1021/acs.jpca.5b10996. Demissie, Taye Beyene; Jaszuński, Michal; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth. Absolute NMR shielding scales and nuclear spin–rotation constants in 175LuX and 197AuX (X= 19F, 35Cl, 79Br and 127I). Journal of Chemical Physics 2015; Volum 143 (164311). ISSN 0021-9606.s doi: 10.1063/1.4934533. Friese, Daniel Henrik; Mikhaylov, Alexander; Krzeszewski, Maciej; Poronik, Yevgen; Rebane, Aleksander; Ruud, Kenneth; Gryko, Daniel. Pyrrolo[3,2-b]pyrroles - from unprecedented solvatofluorochromism to two-photon absorption. Chemistry - A European Journal 2015; Volum 21 (50). ISSN 0947-6539.s 18364 - 18374.s doi: 10.1002/chem.201502762. Friese, Daniel Henrik; Ringholm, Magnus; Gao, Bin; Ruud, Kenneth. Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets. Journal of Chemical Theory and Computation 2015; Volum 11 (10). ISSN 1549-9618.s 4814 - 4824.s doi: 10.1021/acs.jctc.5b00646. Friese, Daniel Henrik; Bast, Radovan; Ruud, Kenneth. Five-Photon Absorption and Selective Enhancement of Multiphoton Absorption Processes. ACS Photonics 2015; Volum 2 (5). ISSN 2330-4022.s 572 - 577.s doi: 10.1021/acsphotonics.5b00053. Vicha, Jan; Novotny, Jan; Straka, Michal; Repisky, Michal; Ruud, Kenneth; Komorovsky, Stanislav; Marek, Radek. Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: Assessment of DFT approaches. (Fulltekst: http://pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp04214c Physical Chemistry, Chemical Physics - PCCP 2015; Volum 17 (38). ISSN 1463-9076.s 24944 - 24955.s doi: 10.1039/c5cp04214c. Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Demissie, Taye Beyene; Ruud, Kenneth. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides. Journal of Chemical Theory and Computation 2015; Volum 11 (8). ISSN 1549-9618.s 3729 - 3739.s doi: 10.1021/acs.jctc.5b00276. Kadek, Marius; Konecny, Lukas; Gao, Bin; Repisky, Michal; Ruud, Kenneth. X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix. (Fulltekst: http://pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp03712c Physical Chemistry, Chemical Physics - PCCP 2015; Volum 17 (35). ISSN 1463-9076.s 22566 - 22570.s doi: 10.1039/c5cp03712c. Beerepoot, Maarten; Friese, Daniel Henrik; List, Nanna Holmgaard; Kongsted, Jacob; Ruud, Kenneth. Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP. Physical Chemistry, Chemical Physics - PCCP 2015; Volum 17 (29). ISSN 1463-9076.s 19306 - 19314.s doi: 10.1039/c5cp03241e. Anelli, Marco; Jonsson, Dan Johan; Fliegl, Heike; Ruud, Kenneth. The origin dependence of the material constants: the permittivity and the inverse permeability. Molecular Physics 2015; Volum 113 (13-14). ISSN 0026-8976.s 1899 - 1913.s doi: 10.1080/00268976.2015.1021728. Demissie, Taye Beyene; Ruud, Kenneth; Hansen, Jørn H. DFT as a Powerful Predictive Tool in Photoredox Catalysis: Redox Potentials and Mechanistic Analysis. Organometallics 2015; Volum 34 (17). ISSN 0276-7333.s 4218 - 4228.s doi: 10.1021/acs.organomet.5b00582. List, Nanna Holmgaard; Beerepoot, Maarten; Olsen, Jógvan Magnus Haugaard; Gao, Bin; Ruud, Kenneth; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob. Molecular quantum mechanical gradients within the polarizable embedding approach-Application to the internal vibrational Stark shift of acetophenone. Journal of Chemical Physics 2015; Volum 142 (3). ISSN 0021-9606.s 034119 - .s doi: 10.1063/1.4905909. Friese, Daniel Henrik; Beerepoot, Maarten; Ringholm, Magnus; Ruud, Kenneth. Open-ended recursive approach for the calculation of multiphoton absorption matrix elements. Journal of Chemical Theory and Computation 2015; Volum 11 (3). ISSN 1549-9618.s 1129 - 1144.s doi: 10.1021/ct501113y. Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Ruud, Kenneth; Gauss, Jürgen. Communication: The absolute shielding scales of oxygen and sulfur revisited. Journal of Chemical Physics 2015; Volum 142 (091102). ISSN 0021-9606.s doi: 10.1063/1.4913634. Olsen, Jógvan Magnus Haugaard; Steinmann, Casper; Ruud, Kenneth; Kongsted, Jacob. Polarizable density embedding: A new QM/QM/MM-based computational strategy. Journal of Physical Chemistry A 2015; Volum 119 (21). ISSN 1089-5639.s 5344 - 5355.s doi: 10.1021/jp510138k. Demissie, Taye Beyene; Kostenko, Nataliya; Komorovsky, Stanislav; Repisky, Michal; Isaksson, Johan; Bayer, Annette; Ruud, Kenneth. Experimental and four-component relativistic DFT studies of tungsten carbonyl complexes. Journal of Physical Organic Chemistry 2015; Volum 28 (12). ISSN 0894-3230.s 723 - 731.s doi: 10.1002/poc.3476. Repisky, Michal; Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation. Journal of Chemical Theory and Computation 2015; Volum 11 (3). ISSN 1549-9618.s 980 - 991.s doi: 10.1021/ct501078d. Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonja; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf Egil; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stine; Høyvik, Ida Marie; Iozzi, Maria Francesca; Jansik, Brannislav; Jensen, Hans-Jørgen Aa.; Jonsson, Dan Johan; Jørgensen, Poul; Kauczor, Johanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf Heilemann; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas Bondo; Provasi, Patricio F.; Reine, Simen Sommerfelt; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; Sanchez de Meras, Alfredo; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn Hykkerud; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science 2014; Volum 4 (3). ISSN 1759-0876.s 269 - 284.s doi: 10.1002/wcms.1172. Ringholm, Magnus; Bast, Radovan; Oggioni, Luca; Ekström, Ulf Egil; Ruud, Kenneth. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients. Journal of Chemical Physics 2014; Volum 141 (13). ISSN 0021-9606.s doi: 10.1063/1.4896606. Jaszunski, Michal; Demissie, Taye Beyene; Ruud, Kenneth. Spin-rotation and NMR shielding constants in XF molecules (X = B, Al, Ga, In, and Tl). Journal of Physical Chemistry A 2014; Volum 118 (40). ISSN 1089-5639.s 9588 - 9595.s doi: 10.1021/jp507129y. Friese, Daniel Henrik; Beerepoot, Maarten; Ruud, Kenneth. Rotational averaging of multiphoton absorption cross sections. Journal of Chemical Physics 2014; Volum 141 (20). ISSN 0021-9606.s doi: 10.1063/1.4901563. Rossi, Elda; Evangelisti, Stefano; Laganà, Antonio; Monari, Antonio; Rampino, Sergio; Verdicchio, Marco; Baldridge, Kim K.; Bendazzoli, Gian Luigi; Borini, Stefano; Cimiraglia, Renzo; Angeli, Celestino; Kallay, Peter; Lüthi, Hans P.; Ruud, Kenneth; Sanchez-Marin, José; Scemama, Anthony; Szalay, Peter G.; Tajti, Attila. Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. Journal of Computational Chemistry 2014; Volum 35 (8). ISSN 0192-8651.s 611 - 621.s doi: 10.1002/jcc.23492. Demissie, Taye Beyene; Repisky, Michal; Liu, Hui; Ruud, Kenneth; Kozlowski, Pawel M.. Cob(II)alamin: Relativistic DFT analysis of the EPR parameters. Journal of Chemical Theory and Computation 2014; Volum 10 (5). ISSN 1549-9618.s 2125 - 2136.s doi: 10.1021/ct400769t. Alam, Md. Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Ruud, Kenneth. Chemical control of channel interference in two-photon absorption processes. Accounts of Chemical Research 2014; Volum 47 (5). ISSN 0001-4842.s 1604 - 1612.s doi: 10.1021/ar500083f. Gao, Bin; Ringholm, Magnus; Bast, Radovan; Ruud, Kenneth; Thorvaldsen, Andreas johan; Jaszuński, Michał. Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: The first dipole hyperpolarizability of retinal and related molecules. Journal of Physical Chemistry A 2014; Volum 118 (4). ISSN 1089-5639.s 748 - 756.s doi: 10.1021/jp408103y. Ruud, Kenneth; Demissie, Taye Beyene; Jaszunski, Michal. Ab initio and relativistic DFT study of spin–rotation and NMR shielding constants in XF6 molecules, X = S, Se, Te, Mo, and W. Journal of Chemical Physics 2014; Volum 140 (19:194308). ISSN 0021-9606.s doi: 10.1063/1.4875696. Gao, Bin; Ruud, Kenneth; Luo, Yi. Shape-dependent electronic excitations in metallic chains. Journal of Physical Chemistry C 2014; Volum 118 (24). ISSN 1932-7447.s 13059 - 13069.s doi: 10.1021/jp5000107. Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth. A general, recursive, and open-ended response code. Journal of Computational Chemistry 2014; Volum 35 (8). ISSN 0192-8651.s 622 - 633.s doi: 10.1002/jcc.23533. Ringholm, Magnus; Jonsson, Dan Johan; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas johan; Ekstrøm, Ulf; Helgaker, Trygve; Ruud, Kenneth. Analytic cubic and quartic force fields using density-functional theory. Journal of Chemical Physics 2014; Volum 140 (3). ISSN 0021-9606.s doi: 10.1063/1.4861003. Beerepoot, Maarten; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob. Convergence of environment polarization effects in multiscale modeling of excitation energies. Computational and Theoretical Chemistry 2014; Volum 1040-1041. ISSN 2210-271X.s 304 - 311.s doi: 10.1016/j.comptc.2014.03.022. Beerepoot, Maarten; Friese, Daniel Henrik; Ruud, Kenneth. Intermolecular charge transfer enhances two-photon absorption in yellow fluorescent protein. (Fulltekst: http://pubs.rsc.org/en/Content/ArticleLanding/2014/CP/C3CP55205E#!divAbstract Physical Chemistry, Chemical Physics - PCCP 2014; Volum 16 (13). ISSN 1463-9076.s 5958 - 5964.s doi: 10.1039/c3cp55205e. Woywod, Clemens Joachim; Csehi, Andreas; Halász, Gábor J.; Ruud, Kenneth; Vibók, Ágnes. Theoretical investigation of two model systems for molecular photoswitch functionality. I. 2-(4-nitropyrimidin-2-yl)ethenol. (Fulltekst: http://dx.doi.org/10.1080/00268976.2013.869362 Molecular Physics 2014; Volum 112 (5-6). ISSN 0026-8976.s 818 - 835.s doi: 10.1080/00268976.2013.869362. Beerepoot, Maarten; Steindal, Arnfinn Hykkerud; Kongsted, Jacob; Brandsdal, Bjørn Olav; Frediani, Luca; Ruud, Kenneth; Olsen, Jóqvan Magnus Haugaard. A polarizable embedding DFT study of one-photon absorption in fluorescent proteins. Physical Chemistry, Chemical Physics - PCCP 2013; Volum 15 (13). ISSN 1463-9076.s 4735 - 4743.s doi: 10.1039/c3cp44659j. Alam, Md. Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Ruud, Kenneth. Effect of donor–acceptor orientation on solvent-dependent three-photon activity in through-space charge-transfer systems – case study of [2,2]-paracyclophane derivatives. Physical Chemistry, Chemical Physics - PCCP 2013; Volum 15. ISSN 1463-9076.s 17570 - 17576.s doi: 10.1039/c3cp52696h. Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Malkina, Olga L.; Malkin, Vladimir G.. Four-Component Relativistic Density Functional Theory Calculations of NMR Shielding Tensors for Paramagnetic Systems. Journal of Physical Chemistry A 2013; Volum 117 (51). ISSN 1089-5639.s 14209 - 14219.s doi: 10.1021/jp408389h. Jaszunski, Michal; Repisky, Michal; Demissie, Taye B.; Komorovsky, Stanislav; Malkin, Elena; Ruud, Kenneth; Garbacz, Piotr; Jackowski, Karol; Makulski, W. Spin-rotation and NMR shielding constants in HCl. Journal of Chemical Physics 2013; Volum 139. ISSN 0021-9606.s doi: 10.1063/1.4840295. Jagau, TC; Gauss, J; Ruud, Kenneth. Analytic evaluation of the dipole Hessian matrix in coupled-cluster theory. Journal of Chemical Physics 2013; Volum 139 (15). ISSN 0021-9606.s doi: 10.1063/1.4824715. Badri, Zahra; Patak, Shubrhodeep; Fliegl, Heike; Parviz, Rashidi-Ranjibar; Bast, Radovan; Marek, Radek; Foroutan-Nejad, Cina; Ruud, Kenneth. All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters. Journal of Chemical Theory and Computation 2013; Volum 9 (11). ISSN 1549-9618.s 4789 - 4796.s doi: 10.1021/ct4007184. Lin, Na; Barone, Vincenzo; Cappelli, Chiara; Zhao, Xian; Ruud, Kenneth; Santoro, Fabrizio. Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect. Molecular Physics 2013; Volum 111 (9-11). ISSN 0026-8976.s 1511 - 1525.s doi: 10.1080/00268976.2013.809490. Frediani, Luca; Fossgaard, Eirik; Flå, Tor; Ruud, Kenneth. Fully adaptive algorithms for multivariate integral equations using the non-standard form and multiwavelets with applications to the Poisson and bound-state Helmholtz kernels in three dimensions. Molecular Physics 2013; Volum 111 (9-11). ISSN 0026-8976.s 1143 - 1160.s doi: 10.1080/00268976.2013.810793. Demissie, Taye B.; Repisky, Michal; Komorovsky, Stanislav; Isaksson, Johan; Svendsen, John Sigurd; Dodziuk, H; Ruud, Kenneth. Four-component relativistic chemical shift calculations of halogenated organic compounds. Journal of Physical Organic Chemistry 2013; Volum 26 (8). ISSN 0894-3230.s 679 - 687.s doi: 10.1002/poc.3157. Pathak, S; Bast, Radovan; Ruud, Kenneth. Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals. Journal of Chemical Theory and Computation 2013; Volum 9 (5). ISSN 1549-9618.s 2189 - 2198.s doi: 10.1021/ct3011198. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye B.; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the Sn-119 Absolute Shielding. The Journal of Physical Chemistry Letters 2013; Volum 4 (3). ISSN 1948-7185.s 459 - 463.s doi: 10.1021/jz302146m. Chen, Xiao; Rinkevicius, Zilvinas; Ruud, Kenneth; Ågren, Hans. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic pi radicals. Journal of Chemical Physics 2013; Volum 138 (5:054310). ISSN 0021-9606.s doi: 10.1063/1.4789769. Li, Xiaojun; Hopmann, Kathrin Helen; Hudecova, Jana; Isaksson, Johan; Novotná, Jana; Stensen, Wenche; Andrushchenko, Valery; Urbanová, Marie; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Determination of Absolute Configuration and Conformation of a Cyclic Dipeptide by NMR and Chiral Spectroscopic Methods. Journal of Physical Chemistry A 2013; Volum 117 (8). ISSN 1089-5639.s 1721 - 1736.s doi: 10.1021/jp311151h. Lin, Na; Solheim, Harald; Zhao, Xian; Santoro, Fabrizio; Ruud, Kenneth. First principles studies of the vibrationally resolved magnetic circular dichroism spectra of biphenylene. Journal of Chemical Theory and Computation 2013; Volum 9 (3). ISSN 1549-9618.s 1557 - 1567.s doi: 10.1021/ct301101h. Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M.. Cob(I)alamin: Insight Into the Nature of Electronically Excited States Elucidated via Quantum Chemical Computations and Analysis of Absorption, CD and MCD Data. Journal of Physical Chemistry A 2013; Volum 117 (5). ISSN 1089-5639.s 863 - 876.s doi: 10.1021/jp310446c. Friese, Daniel H.; Hättig, Christof; Ruud, Kenneth. Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation. Physical Chemistry, Chemical Physics - PCCP 2012; Volum 14 (3). ISSN 1463-9076.s 1175 - 1184.s doi: 10.1039/c1cp23045j. Ruud, Kenneth; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas johan; Ekström, Ulf Egil; Visscher, Lucas. A General Toolbox for the Calculation of Higher-Order Molecular Properties Using SCF Wave Functions at the One-, Two- and Four-Component Levels of Theory. AIP Conference Proceedings 2012; Volum 1504. ISSN 0094-243X.s 639 - 642.s doi: 10.1063/1.4771776. Mohammed, Abdelsalam; Ågren, Hans; Ringholm, Magnus; Thorvaldsen, Andreas johan; Ruud, Kenneth. Hyper Raman spectra calculated in a time-dependent Hartree-Fock method. Molecular Physics 2012; Volum 110 (19-20). ISSN 0026-8976.s 2315 - 2320.s doi: 10.1080/00268976.2012.659681. Thorvaldsen, Andreas johan; Gao, Bin; Ruud, Kenneth; Fedorovsky, Maxim; Zuber, Gerard; Hug, Werner. Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation. Chirality 2012; Volum 24 (12). ISSN 0899-0042.s 1018 - 1030.s doi: 10.1002/chir.22090. Gao, Bin; Ruud, Kenneth; Luo, Yi. Plasmon resonances in linear noble-metal chains. Journal of Chemical Physics 2012; Volum 137 (19). ISSN 0021-9606.s doi: 10.1063/1.4766360. Steindal, Arnfinn Hykkerud; Olsen, Jógvan Magnus Haugaard; Frediani, Luca; Kongsted, Jacob; Ruud, Kenneth. Parallelization of the polarizable embedding scheme for higher-order response functions. Molecular Physics 2012; Volum 110 (19-20). ISSN 0026-8976.s 2579 - 2586.s doi: 10.1080/00268976.2012.721016. Østnes Hanssen, Kine; Schuler, Bruno; Williams, Antony J.; Demissie, Taye B.; Hansen, Espen; Andersen, Jeanette hammer; Svenson, Johan; Blinov, Kirill; Repisky, Michal; Mohn, Fabian; Meyer, Gerhard; Svendsen, John Sigurd; Ruud, Kenneth; Elyashberg, Mikhail; Gross, Leo; Jaspars, Marcel; Isaksson, Johan. A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi. Angewandte Chemie International Edition 2012; Volum 51 (49). ISSN 1433-7851.s 12238 - 12241.s doi: 10.1002/anie.201203960. Dodziuk, Helena; Demissie, Taye Beyene; Ruud, Kenneth; Szymanski, Slawomir; Jazwinski, Jaroslaw; Hopf, Henning. Structure and NMR spectra of cyclophanes with unsaturated bridges (cyclophenes). Magnetic Resonance in Chemistry 2012; Volum 50 (6). ISSN 0749-1581.s 449 - 457.s doi: 10.1002/mrc.3821. Alam, Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Ruud, Kenneth. High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through-Space Charge-Transfer Systems - A Surprising In Silico Observation. The Journal of Physical Chemistry Letters 2012; Volum 3 (8). ISSN 1948-7185.s 961 - 966.s doi: 10.1021/jz300198y. Tecmer, Pawel; Bast, Radovan; Ruud, Kenneth; Visscher, Lucas. Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4](2-)): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?. Journal of Physical Chemistry A 2012; Volum 116 (27). ISSN 1089-5639.s 7397 - 7404.s doi: 10.1021/jp3011266. Kjærgaard, Thomas; Coriani, Sonia; Ruud, Kenneth. Ab initio calculation of magnetic circular dichroism. Wiley Interdisciplinary Reviews. Computational Molecular Science 2012; Volum 2 (3). ISSN 1759-0876.s 443 - 455.s doi: 10.1002/wcms.1091. Ruud, Kenneth. Ab initio methods for vibrational circular dichroism and Raman optical activity. John Wiley & Sons 2012 ISBN 978-0-470-64135-4.s 699 - 727.s doi: 10.1002/9781118120187.ch24. Jaszunski, Michal; Rizzo, Antonio; Ruud, Kenneth. Molecular electric, magnetic and optical properties. (Fulltekst: http://www.springerlink.com/content/wp261153g6450117/ Springer Science+Business Media B.V. 2012 ISBN 978-94-007-0711-5.s 363 - 441.s doi: 10.1007/978-3-319-27282-5_11. Yamamoto, Shigeki; Li, Xiaojun; Ruud, Kenneth; Bour, Petr. Transferability of Various Molecular Property Tensors in Vibrational Spectroscopy. Journal of Chemical Theory and Computation 2012; Volum 8 (3). ISSN 1549-9618.s 977 - 985.s doi: 10.1021/ct200714h. Helgaker, Trygve; Coriani, Sonia; Jørgensen, Poul; Kristensen, Kasper; Olsen, Jeppe; Ruud, Kenneth. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations. Chemical Reviews 2012; Volum 112 (1). ISSN 0009-2665.s 543 - 631.s doi: 10.1021/cr2002239. Li, Xiaojun; Hopmann, Kathrin Helen; Hudecova, Jana; Stensen, Wenche; Novotná, Jana; Urbanová, Marie; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation. Journal of Physical Chemistry A 2012; Volum 116 (10). ISSN 1089-5639.s 2554 - 2563.s doi: 10.1021/jp211454v. Steindal, Arnfinn Hykkerud; Olsen, Jógvan Magnus Haugaard; Ruud, Kenneth; Frediani, Luca; Kongsted, Jacob. A combined quantum mechanics/molecular mechanics study of the one- and two-photon absorption in the green fluorescent protein. Physical Chemistry, Chemical Physics - PCCP 2012; Volum 14 (16). ISSN 1463-9076.s 5440 - 5451.s doi: 10.1039/c2cp23537d. Štěpánek, Petr; Andrushchenko, Valery; Ruud, Kenneth; Bouř, Petr. Porphyrin Protonation Studied by Magnetic Circular Dichroism. Journal of Physical Chemistry A 2012; Volum 116 (1). ISSN 1089-5639.s 778 - 783.s doi: 10.1021/jp2105192. Hopmann, Kathrin Helen; Šebestík, Jaroslav; Novotná, Jana; Stensen, Wenche; Urbanová, Marie; Svenson, Johan; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy. Journal of Organic Chemistry 2012; Volum 77 (2). ISSN 0022-3263.s 858 - 869.s doi: 10.1021/jo201598x. Lin, Na; Solheim, Harald; Ruud, Kenneth; Nooijen, Marcel; Santoro, Fabrizio; Zhao, Xian; Kwit, Marcin; Skowronek, Pawel. Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality. Physical Chemistry, Chemical Physics - PCCP 2012; Volum 14 (10). ISSN 1463-9076.s 3669 - 3680.s doi: 10.1039/c2cp23584f. Bast, Radovan; Ulf, Ekstrom; Gao, Bin; Helgaker, Trygve; Ruud, Kenneth; Thorvaldsen, Andreas johan. The ab initio calculation of molecular electric, magnetic and geometric properties. Physical Chemistry, Chemical Physics - PCCP 2011; Volum 13 (7). ISSN 1463-9076.s 2627 - 2651.s doi: 10.1039/c0cp01647k. Rizzo, Antonio; Coriani, Sonia; Ruud, Kenneth. Response Function Theory Computational Approaches to Linear and Nonlinear Optical Spectroscopy. John Wiley & Sons 2011 ISBN 9780470470176.s 77 - 136.s doi: 10.1002/9781118008720.ch2. Crawford, T. Daniel; Ruud, Kenneth. Coupled-Cluster Calculations of Vibrational Raman Optical Activity Spectra. ChemPhysChem 2011; Volum 12 (17). ISSN 1439-4235.s 3442 - 3448.s doi: 10.1002/cphc.201100547. Lin, Na; Luo, Yi; Ruud, Kenneth; Zhao, X; Santoro, Fabrizio; Rizzo, Antonio. Differences in Two-photon and One-photon Absorption Profiles induced by Vibronic Coupling. The case of dioxaborine heterocyclic dye. ChemPhysChem 2011; Volum 12 (17). ISSN 1439-4235.s 3392 - 3403.s doi: 10.1002/cphc.201100500. Orlando, R; Bast, Radovan; Ruud, Kenneth; Ekström, Ulf Egil; Ferrabone, M; Kirtman, B; Dovesi, R. The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn-Sham Scheme. Journal of Physical Chemistry A 2011; Volum 115 (45). ISSN 1089-5639.s 12631 - 12637.s doi: 10.1021/jp203237m. Dodziuk, Helena; Szymanski, Slawomir; Jazwinski, Jaroslav; Ostrowski, Maciej; Demissie, Taye Beyene; Ruud, Kenneth; Kus, Piotr; Hopf, Henning; Lin, Shaw-Tao. Structure and NMR Spectra of Some [2.2]Paracyclophanes. The Dilemma of [2.2]Paracyclophane Symmetry. Journal of Physical Chemistry A 2011; Volum 115 (38). ISSN 1089-5639.s 10638 - 10649.s doi: 10.1021/jp205693a. Shcherbin, Dmitri; Thorvaldsen, Andreas johan; Jonsson, Dan Johan; Ruud, Kenneth. Gauge-origin independent calculations of Jones birefringence. Journal of Chemical Physics 2011; Volum 135 (13). ISSN 0021-9606.s doi: 10.1063/1.3645182. Hopmann, Kathrin Helen; Ruud, Kenneth; Pecul, Magdalena; Kudelski, Andrzej; Dracinsky, Martin; Bour, Petr. Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra. Journal of Physical Chemistry B 2011; Volum 115 (14). ISSN 1520-6106.s 4128 - 4137.s doi: 10.1021/jp110662w. Bast, Radovan; Ruud, Kenneth; Rizzo, Antonio; Helgaker, Trygve. Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals. Theoretical Chemistry Accounts 2011; Volum 129 (3-5). ISSN 1432-881X.s 685 - 699.s doi: 10.1007/s00214-011-0939-3. Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca; Aidas, Kestutis; Kongsted, Jacob. Excitation Energies in Solution: The Fully Polarizable QM/MM/PCM Method. Journal of Physical Chemistry B 2011; Volum 115 (12). ISSN 1520-6106.s 3027 - 3037.s doi: 10.1021/jp1101913. Kornobis, Karina; Kumar, Neeraj; Wong, Bryan M.; Lodowski, Piotr; Jaworska, Maria; Andruniow, Tadeusz; Ruud, Kenneth; Kozlowski, Pawel M.. Electronically Excited States of Vitamin B-12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods. Journal of Physical Chemistry A 2011; Volum 115 (7). ISSN 1089-5639.s 1280 - 1292.s doi: 10.1021/jp110914y. Solheim, Harald; Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M.. Electronically Excited States of Vitamin B-12 and Methylcobalamin: Theoretical Analysis of Absorption, CD, and MCD Data. Journal of Physical Chemistry B 2011; Volum 115 (4). ISSN 1520-6106.s 737 - 748.s doi: 10.1021/jp109793r. Chen, Xing; Rinkevicius, Zilvinas; Cao, Zexing; Ruud, Kenneth; Ågren, Hans. Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic molecules. Physical Chemistry, Chemical Physics - PCCP 2011; Volum 13 (2). ISSN 1463-9076.s 696 - 707.s doi: 10.1039/c0cp01443e. Pecul-Kudelska, Magdalena; Ruud, Kenneth. The optical activity of beta,gamma-enones in ground and excited states using circular dichroism and circularly polarized luminescence. Physical Chemistry, Chemical Physics - PCCP 2011; Volum 13 (2). ISSN 1463-9076.s 643 - 650.s doi: 10.1039/c0cp01149e. Gao, Bin; Thorvaldsen, Andreas johan; Ruud, Kenneth. GEN1INT: A Unified Procedure for the Evaluation of One-Electron Integrals Over Gaussian Basis Functions and Their Geometric Derivatives. International Journal of Quantum Chemistry 2011; Volum 111 (4). ISSN 0020-7608.s 858 - 872.s doi: 10.1002/qua.22886. Guillaume, Maxime; Ruud, Kenneth; Rizzo, Antonio; Monti, S; Lin, Zongkai; Xu, X.. Computational Study of the One- and Two-Photon Absorption and Circular Dichroism of (L)-Tryptophan. Journal of Physical Chemistry B 2010; Volum 114 (19). ISSN 1520-6106.s 6500 - 6512.s doi: 10.1021/jp1004659. Gao, Bin; Ruud, Kenneth; Thorvaldsen, Andreas johan. GEN1INT: A unified procedure for the evaluation of one-electron integrals over Gaussian basis functions and their geometric derivatives. International Journal of Quantum Chemistry 2010; Volum 111 (4). ISSN 0020-7608.s 858 - 872.s doi: 10.1002/qua.22886. Pecul-Kudelska, Magdalena; Deillon, Christine; Thorvaldsen, Andreas johan; Ruud, Kenneth. The aqueous Raman optical activity spectra of 4(R)-hydroxyproline: theory and experiment. Journal of Raman Spectroscopy 2010; Volum 41 (10). ISSN 0377-0486.s 1200 - 1210.s doi: 10.1002/jrs.2572. Murugan, N. Arul; Jha, PC; Rinkevicius, Zilvinas; Ruud, Kenneth; Ågren, Hans. Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach. Journal of Chemical Physics 2010; Volum 132 (23). ISSN 0021-9606.s doi: 10.1063/1.3436516. Ruud, Kenneth; Thorvaldsen, Andreas johan. Theoretical Approaches to the Calculation of Raman Optical Activity Spectra. Chirality 2010; Volum 21 (1E). ISSN 0899-0042.s E54 - E67.s doi: 10.1002/chir.20777. Orlando, R; Lacivita, V; Bast, Radovan; Ruud, Kenneth. Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF results. Journal of Chemical Physics 2010; Volum 132 (24). ISSN 0021-9606.s doi: 10.1063/1.3447387. Ekstrøm, Ulf; Visscher, Lucas; Bast, Radovan; Thorvaldsen, Andreas johan; Ruud, Kenneth. Arbitrary-Order Density Functional Response Theory from Automatic Differentiation. Journal of Chemical Theory and Computation 2010; Volum 6 (7). ISSN 1549-9618.s 1971 - 1980.s doi: 10.1021/ct100117s. Mohammed, A; Agren, H; Thorvaldsen, Andreas johan; Ruud, Kenneth. Ab initio study of coherent anti-Stokes Raman scattering (CARS) of the 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) explosive. Chemical Physics Letters 2010; Volum 485 (4-6). ISSN 0009-2614.s 320 - 325.s doi: 10.1016/j.cplett.2009.12.061. Ferrighi, Lara; Frediani, Luca; Ruud, Kenneth. Excited-state polarizabilities of solvated molecules using cubic response theory and the polarizable continuum model. Journal of Chemical Physics 2010; Volum 132 (2). ISSN 0021-9606.s doi: 10.1063/1.3291026. Coriani, Sonia; Kjærgaard, Thomas; Jørgensen, Poul; Ruud, Kenneth; Huh, J; Berger, R. An Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties. Journal of Chemical Theory and Computation 2010; Volum 6 (4). ISSN 1549-9618.s 1028 - 1047.s doi: 10.1021/ct900506c. Pedersen, Thomas Bondo; Kongsted, Jacob; Crawford, T. Daniel; Ruud, Kenneth. On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution. Journal of Chemical Physics 2009; Volum 130. ISSN 0021-9606.s doi: 10.1063/1.3054301. Lutnæs, Ola B.; Teale, AM; Helgaker, Trygve; Tozer, DJ; Ruud, Kenneth; Gauss, J. Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations. Journal of Chemical Physics 2009; Volum 131 (14). ISSN 0021-9606.s doi: 10.1063/1.3242081. Ruud, Kenneth; Thorvaldsen, Andreas johan. Theoretical approaches to the calculation of Raman optical activity spectra. Chirality 2009; Volum 21. ISSN 0899-0042.s S54 - S67. Bast, Radovan; Thorvaldsen, Andreas johan; Ringholm, Magnus; Ruud, Kenneth. Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models. Chemical Physics 2009; Volum 356 (1-3). ISSN 0301-0104.s 177 - 186.s doi: 10.1016/j.chemphys.2008.10.033. Julinek, O; Setnicka, V; Miklasova, N; Putala, M; Ruud, Kenneth; Urbanova, M. Determination of Molecular Structure of Bisphenylene Homologues of BINOL-Based Phosphoramidites by Chiroptical Methods. Journal of Physical Chemistry A 2009; Volum 113 (40). ISSN 1089-5639.s 10717 - 10725.s doi: 10.1021/jp906724f. Thorvaldsen, Andreas johan; Ferrighi, Lara; Ruud, Kenneth; Agren, H; Jørgensen, Poul; Coriani, Sonia; Jorgensen, P. Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (13). ISSN 1463-9076.s 2293 - 2304.s doi: 10.1039/b812045e. Shcherbin, Dmitri; Thorvaldsen, Andreas johan; Ruud, Kenneth; Coriani, S; Rizzo, A. Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence. Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (5). ISSN 1463-9076.s 816 - 825.s doi: 10.1039/b815752a. Chakrabarti, S; Ruud, Kenneth. Large two-photon absorption cross section: molecular tweezer as a new promising class of compounds for nonlinear optics. Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (15). ISSN 1463-9076.s 2592 - 2596.s doi: 10.1039/b822395e. Pedersen, TB; Kongsted, J; Ruud, Kenneth; Crawford, Daniel. On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution. Journal of Chemical Physics 2009; Volum 130 (3). ISSN 0021-9606.s doi: 10.1063/1.3054301. Dodziuk, H; Ostrowski, M; Ruud, Kenneth; Jazwinski, J; Hopf, H; Kozminski, Wiktor. Spatial structure and NMR spectra of strained [2.2.2]cyclophanes. Magnetic Resonance in Chemistry 2009; Volum 47 (5). ISSN 0749-1581.s 407 - 414.s doi: 10.1002/mrc.2402. Coriani, Sonia; Forzato, C; Furlan, Giada; Nitti, P; Pitacco, G; Ringholm, Magnus; Ruud, Kenneth. Synthesis, characterization and assignment of the absolute configuration of 4,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylic acid and its esters: a combined experimental and theoretical investigation. Tetrahedron: asymmetry 2009; Volum 20 (13). ISSN 0957-4166.s 1459 - 1467.s doi: 10.1016/j.tetasy.2009.06.002. Peach, MJG; Le Sueur, CR; Ruud, Kenneth; Guillaume, Maxime; Tozer, DJ. TDDFT diagnostic testing and functional assessment for triazene chromophores. Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (22). ISSN 1463-9076.s 4465 - 4470.s doi: 10.1039/b822941d. Rizzo, Antonio; Shcherbin, Dmitri; Ruud, Kenneth. Jones and magnetoelectric birefringence of pure substances - A computational study. Canadian journal of chemistry (Print) 2009; Volum 87 (10). ISSN 0008-4042.s 1352 - 1361.s doi: 10.1139/V09-087. Solheim, Harald; Frediani, Luca; Ruud, Kenneth; Coriani, Sonia. An IEF-PCM study of solvent effects on the Faraday B term of MCD. Theoretical Chemistry Accounts 2008; Volum 119. ISSN 1432-881X.s 231 - 244.s doi: 10.1007/s00214-006-0235-9. Kongsted, Jacob; Ruud, Kenneth. Solvent effects on zero-point vibrational corrections to optical rotations and nuclear magnetic resonance shielding constants. Chemical Physics Letters 2008; Volum 451. ISSN 0009-2614.s 226 - .s doi: 10.1016/j.cplett.2007.12.008. Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra. Chemical Physics 2008; Volum 343. ISSN 0301-0104.s 200 - 209.s doi: 10.1016/j.chemphys.2007.06.002. Solheim, Harald; Ruud, Kenneth; Coriani, Sonia; Norman, Patrick. Complex polarization propagator calculations of magnetic circular dichroism spectra. Journal of Chemical Physics 2008; Volum 128. ISSN 0021-9606. Shcherbin, Dmitri; Ruud, Kenneth. The use of Coulomb-attenuated methods for the calculation of electronic circular dichroism spectra. Chemical Physics 2008; Volum 349. ISSN 0301-0104.s 234 - 243.s doi: 10.1016/j.chemphys.2008.02.029. Thorvaldsen, Andreas johan; Ruud, Kenneth; Rizzo, Antonio; Coriani, Sonia. Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals. Journal of Chemical Physics 2008; Volum 129 (16). ISSN 0021-9606.s doi: 10.1063/1.2993325. Thorvaldsen, Andreas johan; Ruud, Kenneth; Jaszunski, Michal. Analytic Calculations of Vibrational Hyperpolarizabilities in the Atomic Orbital Basis. Journal of Physical Chemistry A 2008; Volum 112 (46). ISSN 1089-5639.s 11942 - 11950.s doi: 10.1021/jp806197p. Thorvaldsen, Andreas johan; Ruud, Kenneth; Kristensen, Kasper; Jørgensen, Poul; Coriani, Sonia. A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets. Journal of Chemical Physics 2008; Volum 129 (21). ISSN 0021-9606.s doi: 10.1063/1.2996351. Rinkevicius, Zilvinas; de Almeida, Katia Julia; Oprea, Cornel I.; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic Effects. Journal of Chemical Theory and Computation 2008; Volum 4 (11). ISSN 1549-9618.s 1810 - 1828.s doi: 10.1021/ct800053f. Solheim, Harald; Frediani, Luca; Ruud, Kenneth; Coriani, Sonia. An IEF-PCM study of solvent effects on the Faraday B term of Magnetic Circular Dichroism. Theoretical Chemistry Accounts 2008; Volum 119. ISSN 1432-881X.s 231 - 244. Rizzo, A; Lin, N; Ruud, Kenneth. Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone. Journal of Chemical Physics 2008; Volum 128. ISSN 0021-9606.s doi: 10.1063/1.2907727. Lin, N; Ferrighi, Lara; Zhao, X; Ruud, Kenneth; Rizzo, A; Luo, Y. Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule. Journal of Physical Chemistry B 2008; Volum 112. ISSN 1520-6106.s doi: 10.1021/jp7107522. Pecul, Magdalena; Ruud, Kenneth. Solvent effects on natural optical activity. John Wiley & Sons 2007 ISBN 0470029382.s 206 - 219. Kongsted, Jacob; Nielsen, Christian B.; Mikkelsen, Kurt V.; Christiansen, Ove; Ruud, Kenneth. Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models. Journal of Chemical Physics 2007; Volum 126. ISSN 0021-9606.s doi: 10.1063/1.2424713. Aidas, Kestutis; Kongsted, Jacob; Nielsen, Christian B.; Mikkelsen, Kurt V.; Christiansen, Ove; Ruud, Kenneth. Gauge-origin independent magnetizabilities from hybrid quantum-mechanical/molecular mechanical models. Theory and applications to liquid water. Chemical Physics Letters 2007; Volum 442. ISSN 0009-2614.s 322 - .s doi: 10.1016/j.cplett.2007.06.003. Aidas, K; Mogelhoj, A; Kjaer, H; Nielsen, CB; Mikkelsen, KV; Ruud, Kenneth; Christiansen, O; Kongsted, J. Solvent effects on NMR isotropic shielding constants. A comparison between explicit polarizable discrete and continuum approaches. Journal of Physical Chemistry A 2007; Volum 111. ISSN 1089-5639.s doi: 10.1021/jp068693e. Ferrighi, Lara; Frediani, Luca; Ruud, Kenneth. Degenerate four-wave mixing in solution by cubic response theory and the polarizable continuum model. Journal of Physical Chemistry B 2007; Volum 111. ISSN 1520-6106.s 8965 - 8973.s doi: 10.1021/jp0721191. Ferrighi, Lara; Frediani, Luca; Fossgaard, Eirik; Ruud, Kenneth. Two-photon absorption of 2.2paracyclophane derivatives in solution: A theoretical investigation. (Fulltekst: http://link.aip.org/link/?JCPSA6/127/244103/1 Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.s doi: 10.1063/1.2814168. Gauss, J; Ruud, Kenneth; Kallay, M. Gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster level. Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.s doi: 10.1063/1.2755664. Rizzo, Antonio; Ruud, Kenneth; Frediani, Luca. An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution. Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606. Liegeois, Vincent; Ruud, Kenneth; Champagne, Benoit. An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra. Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606. Norman, Patrick; Ruud, Kenneth. Microscopic Theory of Nonlinear Optics. Springer 2006 ISBN 1-4020-4849-1.s 1 - 49. Cheng, Maosheng; Li, Qiang; Lin, Bin; Sha, Yu; Ren, Jinhong; He, Yan; Wang, Qinghe; Hua, Huiming; Ruud, Kenneth. The Assignment of Absolute Configuration of (-)-Linarinic Acid by Theoretical Calculations and Asymmetric Total Synthesis. Tetrahedron: asymmetry 2006; Volum 17. ISSN 0957-4166.s 179 - 183. Fossgaard, Erik; Ruud, Kenneth. Superlinear scaling in master-slave quantum chemical calculations using in-core storage of two-electron integrals. Journal of Computational Chemistry 2006; Volum 27. ISSN 0192-8651.s 326 - 333. Pecul, Magdalena; Lamparska, Ewa; Cappelli, Chiara; Frediani, Luca; Ruud, Kenneth. Solvent Effects on Raman Optical Activity Spectra Calculated Using the Polarizable Continuum Model. Journal of Physical Chemistry A 2006; Volum 110. ISSN 1089-5639.s 2807 - 2815. Jaszunski, Michal; Ruud, Kenneth. Absolute nuclear magnetic resonance shielding constants in XH_4 group XIV hydrides. Molecular Physics 2006; Volum 104. ISSN 0026-8976.s 2139 - 2148. Coriani, Sonia; Baranowska, Angelika; Ferrighi, Lara; Forzato, C; Marchesan, Domenico; Nitti, P; Pitacco, G; Rizzo, Antonio; Ruud, Kenneth. Solvent effects on the conformational distribution and optical rotation of a family of gamma-butyrolactones derived from paraconic acid. Chirality 2006; Volum 18. ISSN 0899-0042.s 357 - 369. Ferrighi, Lara; Frediani, Luca; Cappelli, Chiara; Salek, Pawel; Ågren, Hans; Helgaker, Trygve; Ruud, Kenneth. Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) og push-pull phenylpolyenes in solution. Chemical Physics Letters 2006; Volum 425. ISSN 0009-2614.s 267 - 272. Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. ChemPhysChem 2006; Volum 7. ISSN 1439-4235.s 2189 - 2196. Ferrighi, Lara; Frediani, Luca; Fossgaard, Eirik; Ruud, Kenneth. Parallelization of the integral equation formulation of the polarizable continuum model for higher-order response functions. Journal of Chemical Physics 2006; Volum 125. ISSN 0021-9606. Jansik, Branislav; Rizzo, Antonio; Frediani, Luca; Ruud, Kenneth; Coriani, Sonia. A combined density functional/polarizable continuum model study of magnetochiral birefringence: Can theory and experiment be brought to agreement?. Journal of Chemical Physics 2006; Volum 125. ISSN 0021-9606. Pecul, Magdalena; Marchesan, Domenico; Ruud, Kenneth; Coriani, Sonia. Polarizable continuum model study of solvent effects on electronic circular dichroism parameters. Journal of Chemical Physics 2005; Volum 122. ISSN 0021-9606.s doi: 024106. Marchesan, Domenico; Coriani, Sonia; Forzato, C; Nitti, P; Pitacco, G; Ruud, Kenneth. Optical rotation calculation of a highly flexible molecule: The case of paraconic acid. Journal of Physical Chemistry A 2005; Volum 109. ISSN 1089-5639.s 1449 - 1453. Manninen, Pekka; Ruud, Kenneth; Lantto, Pertu; Vaara, Juha. Leading-order relativistic effects on nuclear magnetic resonance shielding tensors. Journal of Chemical Physics 2005; Volum 122. ISSN 0021-9606. Pecul, Magdalena; Ruud, Kenneth. Ab initio calculation of vibrational Raman optical activity. International Journal of Quantum Chemistry 2005; Volum 104. ISSN 0020-7608.s 816 - 829. Ruud, Kenneth; Zanasi, Riccardo. The importance of molecular vibrations: The sign change of the optical rotation of methyloxirane. Angewandte Chemie International Edition 2005; Volum 44. ISSN 1433-7851.s 3594 - 3596. Oprea, Cornel I.; Rinkevicius, Zilvinas; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections. Journal of Chemical Physics 2005; Volum 123. ISSN 0021-9606. Frediani, Luca; Ågren, Hans; Ferrighi, Lara; Ruud, Kenneth. Second-harmonic generation of solvated molecules using MCSCF quadratic response theory and the polarizable continuum model. Journal of Chemical Physics 2005; Volum 123. ISSN 0021-9606. Reiher, Markus; Liegeois, Vincent; Ruud, Kenneth. Basis set and density functional dependence of vibrational Raman optical activity calculations. Journal of Physical Chemistry A 2005; Volum 109. ISSN 1089-5639.s 7567 - 7574. Polavarapu, Prasad L.; He, Jiangtao; Crassous, Jeanne; Ruud, Kenneth. Absolute configuration of C76 from optical rotatory dispersion. ChemPhysChem 2005; Volum 6. ISSN 1439-4235.s 2535 - 2540.s doi: 10.1002/cphc.200500171. Pecul, Magdalena; Ruud, Kenneth. The ab initio calculation of optical rotation and electronic circular dichroism. Advances in Quantum Chemistry 2005; Volum 50. ISSN 0065-3276.s 185 - . Mohn, Chris E.; Wilson, David J.D.; Lutnæs, Ola B.; Helgaker, Trygve; Ruud, Kenneth. The rotational g tensor as a benchmark for ab initio molecular property calculations. Advances in Quantum Chemistry 2005; Volum 50. ISSN 0065-3276.s 77 - . Ferrighi, Lara; Marchesan, Domenico; Ruud, Kenneth; Frediani, Luca; Coriani, Sonia. Gauge-origin independent magnetizabilities of solvated molecules using the polarizable continuum model (PCM). Journal of Chemical Physics 2005; Volum 123. ISSN 0021-9606. Mohn, Chris Erik; Wilson, David John; Lutnæs, Ola Berg; Helgaker, Trygve; Ruud, Kenneth. The rotational g tensor as a benchmark for ab initio molecular property calculations. Advances in Quantum Chemistry 2005; Volum 50. ISSN 0065-3276.s 77 - 90.s doi: 10.1016/S0065. Ruden, Torgeir Andersen; Ruud, Kenneth. Ro-vibrational corrections to NMR parameters. Wiley-VCH Verlagsgesellschaft 2004 ISBN 3-527-30779-6.s 153 - 173. Frediani, Luca; Cammi, Roberto; Pomelli, Christian S.; Tomasi, Jacopo; Ruud, Kenneth. New developments in the symmetry-adapted algorithm of the polarizable continuum model. Journal of Computational Chemistry 2004; Volum 25. ISSN 0192-8651.s 375 - 385. Havenith, Remco W.A.; Taylor, Peter R.; Angeli, Celestino; Cimiraglia, Renzo; Ruud, Kenneth. Calibration of the n-electron valence state perturbation theory approach. Journal of Chemical Physics 2004; Volum 120 (10). ISSN 0021-9606.s 4619 - 4625. Norman, Patrick; Ruud, Kenneth; Helgaker, Trygve. Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions. Journal of Chemical Physics 2004; Volum 120 (11). ISSN 0021-9606.s 5027 - 5035. Minaev, Boris; Loboda, Oleksander; Vahtras, Olav; Ruud, Kenneth; Ågren, Hans. Solvent effects on optically detected magnetic resonance in triplet spin labels. Theoretical Chemistry Accounts 2004; Volum 111. ISSN 1432-881X.s 168 - 175. Pecul, Magdalena; Pecul, Magdalena; Ruud, Kenneth; Rizzo, Antonio; Helgaker, Trygve. Conformational effects on the optical rotation of alanine and proline. Journal of Physical Chemistry A 2004; Volum 108 (19). ISSN 1089-5639.s 4269 - 4276. Pecul, Magdalena; Pecul, Magdalena; Ruud, Kenneth; Helgaker, Trygve. Density functional theory calculation of electronic circular dichroism using London orbitals. Chemical Physics Letters 2004; Volum 388. ISSN 0009-2614.s 110 - 119. Solheim, Harald; Ruud, Kenneth; Åstrand, Per-Olof. Atomic dipole moments calculated using analytical molecular second-moment gradients. Journal of Chemical Physics 2004; Volum 120 (22). ISSN 0021-9606.s 10368 - 10378. Pecul, Magdalena; Ruud, Kenneth. Solvent effects on the spin-spin coupling constants of acetylene revisited: Supermolecular and polarizable continuum model calculations. Magnetic Resonance in Chemistry 2004; Volum 42. ISSN 0749-1581.s S128 - S137. Manninen, Pekka; Vaara, Juha; Ruud, Kenneth. Perturbational relativistic-theory of electron spin resonance g-tensor. Journal of Chemical Physics 2004; Volum 121. ISSN 0021-9606.s 1258 - 1265. Pecul, Magdalena; Saue, Trond; Ruud, Kenneth; Rizzo, Antonio. Electric field effects on the shielding constants of noble gases: A four-component relativistic Hartree-Fock study. Journal of Chemical Physics 2004; Volum 121. ISSN 0021-9606.s 3051 - 3057. Rinkevicius, Zilvinas; Telyatnyk, Lyudmyla; Vahtras, Olav; Ruud, Kenneth. Electronic g-tensors of solvated molecules using the polarizable continuum model. Journal of Chemical Physics 2004; Volum 121. ISSN 0021-9606.s 5051 - 5060. Ruud, Kenneth; Mennucci, Benedetta; Cammi, Roberto; Frediani, Luca. The calculation of excited-state polarizabilities of solvated molecules. Journal of Computational Methods in Sciences and Engineering 2004; Volum 4 (4). ISSN 1472-7978.s 381 - 397. Ruden, Torgeir A.; Ruud, Kenneth. Ro-Vibrational Corrections to NMR Parameters. Wiley-VCH Verlagsgesellschaft 2004 ISBN 3-527-30779-6.s 153 - 173. Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve Ulf; Salek, Pawel; Ågren, Hans; Vahtras, Olav. Sternheimer shieldings and EFG polarizabilities: a density-functional theory study. Chemical Physics Letters 2003; Volum 372. ISSN 0009-2614.s 377 - 385. Jaszunski, Michal; Ruud, Kenneth; Helgaker, Trygve Ulf. DFT calculation of the NMR indirect spin-spin coupling constants of C60. Molecular Physics 2003; Volum 101. ISSN 0026-8976.s 1997 - 2002. Jaszunski, Michal; Ruud, Kenneth; Helgaker, Trygve. DFT calculations of the NMR indirect nuclear spin-spin coupling constants in C60. Molecular Physics 2003; Volum 101. ISSN 0026-8976.s 1997 - . Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Schimmelpfennig, Bernd; Ruud, Kenneth; Jonsson, Dan; Ågren, Hans. Ab Initio Calculations of Zero-Field Splitting Parameters of the Linear Polyacenes. Chemical Physics 2003; Volum 286. ISSN 0301-0104.s 127 - . Ruud, Kenneth; Frediani, Luca; Cammi, Roberto; Mennucci, Benedetta. Solvent effects on the indirect spin-spin coupling constants of benzene: The DFT-PCM approach. International Journal of Molecular Sciences 2003; Volum 4. ISSN 1422-0067.s 119 - . Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Salek, Pawel; Ågren, Hans; Vahtras, Olav. Sternheimer shieldings and EFG polarizabilities: a density-functional theory study. Chemical Physics Letters 2003; Volum 372. ISSN 0009-2614.s 377 - . Ruden, Torgeir A.; Lutnæs, Ola B.; Helgaker, Trygve; Ruud, Kenneth. Vibrational corrections to indirect nuclear spin-spin coupling constants calculated by density-functional theory. Journal of Chemical Physics 2003; Volum 118. ISSN 0021-9606.s 9572 - . Ruud, Kenneth; Stephens, Philip J.; Devlin, Frank J.; Taylor, Peter R.; Cheeseman, James R.; Frisch, Michael J.. Coupled-cluster calculations of optical rotation. Chemical Physics Letters 2003; Volum 373. ISSN 0009-2614.s 606 - . Manninen, Pekka; Lantto, Pertu; Vaara, Juha; Ruud, Kenneth. Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors. Journal of Chemical Physics 2003; Volum 119. ISSN 0021-9606.s 2623 - . Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Ab initio study of non-homogeneous broadening of the zero-field splitting of triplet guest molecules in diluted glasses. Journal of Chemical Physics 2003; Volum 119. ISSN 0021-9606.s 3120 - . Rizzo, Antonio; Ruud, Kenneth; Norman, Patrick. Relativistic effects on Sternheimer shieldings and the polarizabilities of the electric-field gradient at the nucleus. Journal of Molecular Structure: THEOCHEM 2003; Volum 633. ISSN 0166-1280.s 163 - . Cammi, Roberto; Frediani, Luca; Mennucci, Benedetta; Ruud, Kenneth. MCSCF linear response theory for the Polarizable Continuum Model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution. Journal of Chemical Physics 2003; Volum 119. ISSN 0021-9606.s 5818 - . Åstrand, Per-Olof; Ruud, Kenneth. Zero-point vibrational contributions to fluorine shieldings in organic molecules. Physical Chemistry, Chemical Physics - PCCP 2003; Volum 5. ISSN 1463-9076.s 5015 - 5020. Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. Vibrational effects on molecular properties in large molecules. Journal of Computational Methods in Sciences and Engineering 2003; Volum 3. ISSN 1472-7978.s 7 - 39. Ruud, Kenneth; Helgaker, Trygve; Bour, Petr. Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity. Journal of Physical Chemistry A 2002; Volum 106. ISSN 1089-5639.s 7448 - . Ruud, Kenneth; Helgaker, Trygve Ulf. Optical rotation studied by density-functional and coupled-cluster methods. Chemical Physics Letters 2002; Volum 352. ISSN 0009-2614.s 533 - 539. Christiansen, Ove; Ruden, Torgeir Andersen; Ruud, Kenneth; Helgaker, Trygve Ulf. Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O. Journal of Chemical Physics 2002; Volum 116. ISSN 0021-9606.s 8334 - 8342. Ruud, Kenneth; Helgaker, Trygve Ulf; Bour, Petr. Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity. Journal of Physical Chemistry A 2002; Volum 106. ISSN 1089-5639.s 7448 - 7455. Rizzo, Antonio; Ruud, Kenneth; Bishop, David M.. Interatomic interactions and the Cotton-Mouton effect for helium. Molecular Physics 2002; Volum 100. ISSN 0026-8976.s 799 - . Lantto, Pertu; Vaara, Juha; Kantola, Anu M.; Telkki, Ville-Veikko; Schimmelpfennig, Bernd; Ruud, Kenneth; Jokisaari, Jukka. Relativistic Spin-Orbit Coupling Effects on Secondary Isotope Shifts of 13C Nuclear Shielding in CX2 (X = O, S, Se, Te). Journal of the American Chemical Society 2002; Volum 124. ISSN 0002-7863.s 2762 - . Norman, Patrick; Schimmelpfennig, Bernd; Ruud, Kenneth; Jensen, Hans Jørgen Aa.; Ågren, Hans. Relativistic effects on linear and nonlinear polarizabilities studied by Effective-Core Potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory. Journal of Chemical Physics 2002; Volum 116. ISSN 0021-9606.s 6914 - . Christiansen, Ove; Ruden, Torgeir A.; Ruud, Kenneth; Helgaker, Trygve. Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O. Journal of Chemical Physics 2002; Volum 116. ISSN 0021-9606.s 8334 - . Vahtras, Olav; Loboda, Oleksander; Minaev, Boris; Ågren, Hans; Ruud, Kenneth. Ab Initio Calculations of Zero-Field Splitting Parameters. Chemical Physics 2002; Volum 279. ISSN 0301-0104.s 133 - . Cammi, Roberto; Frediani, Luca; Mennucci, Benedetta; Tomasi, Jacopo; Ruud, Kenneth; Mikkelsen, Kurt V.. A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation. Journal of Chemical Physics 2002; Volum 117. ISSN 0021-9606.s 13 - . Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. Molecular Magnetizabilities: Zero-Point Vibrational Effects and the Breakdown of Pascal's Rule. Journal of Physical Chemistry A 2001; Volum 105. ISSN 1089-5639.s 9926 - . Ruud, Kenneth; Jonsson, Dan; Taylor, Peter R.. The dispersion of the polarizability of C60: A confirmation of recent experimental results through theoretical calculations. Journal of Chemical Physics 2001; Volum 114. ISSN 0021-9606.s 4331 - . Jaszunski, Michal; Ruud, Kenneth. Spin-spin coupling constants in C2H2. Chemical Physics Letters 2001; Volum 336. ISSN 0009-2614.s 473 - . Ruud, Kenneth; Taylor, Peter R.; Åstrand, Per-Olof. Zero-point vibrational effects on optical rotation. Chemical Physics Letters 2001; Volum 337. ISSN 0009-2614.s 217 - . Jonsson, Dan; Norman, Patrick; Ågren, Hans; Rizzo, Antonio; Coriani, Sonia; Ruud, Kenneth. The Cotton-Mouton effect of gaseous CO2, N2O, OCS and CS2. A cubic response multiconfigurational self-consistent field study. Journal of Chemical Physics 2001; Volum 114. ISSN 0021-9606.s 8372 - . Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. Zero-point Vibrational Effects on Proton Shieldings: Functional-Group Contributions from ab Initio Calculations. Journal of the American Chemical Society 2001; Volum 123. ISSN 0002-7863.s 4826 - . Haaland, Arne; Helgaker, Trygve; Ruud, Kenneth; Shorokhov, Dimitry J.. Should gaseous BF3 and SiF4 be described as ionic compounds?. Journal of Chemical Education 2000; Volum 77. ISSN 0021-9584.s 1076 - . Haaland, Arne; Helgaker, Trygve Ulf; Ruud, Kenneth; Shorokhov, Dimitry J.. Should gaseous BF3 and SiF4 be described as ionic compounds?. Journal of Chemical Education 2000; Volum 77. ISSN 0021-9584.s 1076 - 1080. Ruud, Kenneth; Taylor, Peter R.; Jaszunski, Michal. Comment on "On the Magnetic Susceptibility of Fluorine". Journal of Physical Chemistry A 2000; Volum 104. ISSN 1089-5639.s 168 - . Åstrand, Per-Olof; Ruud, Kenneth; Taylor, Peter R.. Calculation of the vibrational wave function of polyatomic molecules. Journal of Chemical Physics 2000; Volum 112. ISSN 0021-9606.s 2655 - . Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules. Journal of Chemical Physics 2000; Volum 112. ISSN 0021-9606.s 2668 - . Åstrand, Per-Olof; Ruud, Kenneth; Sundholm, Dage. A modified variation-perturbation approach to zero-point vibrational motion. Theoretical Chemistry Accounts 2000; Volum 103. ISSN 1432-881X.s 365 - . Polavarapu, Prasad L.; Chakraborty, Dilip K.; Ruud, Kenneth. Molecular optical rotation: an evaluation of semiempirical models. Chemical Physics Letters 2000; Volum 319. ISSN 0009-2614.s 595 - . Ruud, Kenneth; Jonsson, Dan; Taylor, Peter R.. Vibrational effects on electric and magnetic suscpetibilities: application to the properties of the water molecule. Physical Chemistry, Chemical Physics - PCCP 2000; Volum 2. ISSN 1463-9076.s 2161 - . Jonsson, Dan; Ruud, Kenneth; Taylor, Peter R.. Parallell calculations of molecular properties. Computer Physics Communications 2000; Volum 128. ISSN 0010-4655.s 412 - . Coriani, Sonia; Halkier, Asger; Rizzo, Antonio; Ruud, Kenneth. On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2. Chemical Physics Letters 2000; Volum 326. ISSN 0009-2614.s 269 - . Plashkevych, Oleksander; Privalov, Timofei; Ågren, Hans; Carravetta, Vincenzo; Ruud, Kenneth. On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands. Chemical Physics 2000; Volum 260. ISSN 0301-0104.s 11 - . Dahle, Pål; Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve Ulf; Taylor, Peter R.; Taylor, Peter R.. Molecular polarizabilities and magnetizabilities. Elsevier 1999 ISBN 0-444-82508-8.s 147 - 188. Bakken, Vebjørn; Helgaker, Trygve Ulf; Klopper, Willem Maarten; Ruud, Kenneth. The calculation of molecular geometrical properties in the Hellmann-Feynman approximation. Molecular Physics 1999; Volum 96 (4). ISSN 0026-8976.s 653 - 671. Helgaker, Trygve Ulf; Jaszunski, Michal; Ruud, Kenneth. Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants. Chemical Reviews 1999; Volum 99. ISSN 0009-2665.s 293 - 352. Åstrand, P.-O.; Ruud, Kenneth; Mikkelsen, K. V.; Helgaker, Trygve Ulf. Rovibrationally averaged magnetizabilities, rotational g factor and indirect spin-spin coupling of the hydrogen fluoride molecule. Journal of Chemical Physics 1999; Volum 110. ISSN 0021-9606. Mikkelsen, K. V.; Ruud, Kenneth; Helgaker, Trygve Ulf. Solvent effects on nuclear magnetic resonance parameters. Journal of Computational Chemistry 1999; Volum 20. ISSN 0192-8651. Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin-Spin Coupling Constants. Chemical Reviews 1999; Volum 99. ISSN 0009-2665.s 293 - . Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Olsen, Jeppe; Jørgensen, Poul. Ab initio determinations of magnetic circular dichroism. Chemical Physics Letters 1999; Volum 300. ISSN 0009-2614.s 61 - . Pedersen, Thomas B.; Koch, Henrik; Ruud, Kenneth. Coupled cluster response calculation of natural chiroptical spectra. Journal of Chemical Physics 1999; Volum 110. ISSN 0021-9606.s 2883 - . Bakken, Vebjørn; Helgaker, Trygve; Klopper, wim; Ruud, Kenneth. The calculation of molecular geometrical properties in the Hellmann-Feynman approximation. Molecular Physics 1999; Volum 96. ISSN 0026-8976.s 653 - . Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt V.; Helgaker, Trygve. Rovibrationally averaged magnetizability, rotational g factor, and indirect spin-spin coupling of the hydrogen fluoride molecule. Journal of Chemical Physics 1999; Volum 110. ISSN 0021-9606.s 9463 - .s doi: 10.1063/1.478912. Jaszunski, Michal; Ruud, Kenneth. The magnetic properties of the à 1A2 excited state of H2CS. Chemical Physics Letters 1999; Volum 306. ISSN 0009-2614.s 64 - . Ruud, Kenneth; Schimmelpfennig, Bernd; Ågren, Hans. Internal and external heavy-atom effects on phosphoresence radiative lifetimes calculated using a mean-field spin-orbit Hamiltonian. Chemical Physics Letters 1999; Volum 310. ISSN 0009-2614.s 215 - . Vaara, Juha; Ruud, Kenneth; Vahtras, Olav. Correlated Response Calculations of the Spin-Orbit Interaction Contribution to Nuclear Spin-Spin Couplings. Journal of Computational Chemistry 1999; Volum 20. ISSN 0192-8651.s 1314 - . Mikkelsen, Kurt V.; Ruud, Kenneth; Helgaker, Trygve. Solvent Effects on the NMR Parameters of H2S and HCN. Journal of Computational Chemistry 1999; Volum 20. ISSN 0192-8651.s 1281 - . Vaara, Juha; Ruud, Kenneth; Vahtras, Olav. Second- and third-order spin-orbit contributions to nuclear shielding tensors. Journal of Chemical Physics 1999; Volum 111. ISSN 0021-9606.s 2900 - . Kupka, Teobald; Kolaski, Maciej; Pasterna, Grazyna; Ruud, Kenneth. Towards more reliable prediction of formaldehyde multinuclear NMR parameters and harmonic vibrations in gas phase and solution. Journal of Molecular Structure: THEOCHEM 1999; Volum 467. ISSN 0166-1280.s 63 - 78. Ruud, Kenneth; Ågren, Hans; Dahle, Pål; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Koch, Henrik; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt V.. The Cotton-Mouton effect of liquid water. Part II: The semi-continuum model. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 599 - . Luo, Yi; Ruud, Kenneth; Norman, Patrick; Jonsson, Dan; Ågren, Hans. Saturation of the Optical Band Gap and Properties of Five-Membered Heteroaromatic Oligomers. Journal of Physical Chemistry B 1998; Volum 102. ISSN 1520-6106.s 1710 - . Voges, K.; Sutter, Dieter H.; Ruud, Kenneth; Helgaker, Trygve. The Molecular Zeeman Effect of Norbornadiene, its g-Values, Magnetizability Anisotropies, and Molecular Quadrupole Moment; A High-Resolution Microwave Fourier-Transform Study Combined With Quantum Chemical Calculations. Zeitschrift fur Naturforschung A-A Journal of Physical Sciences 1998; Volum 53. ISSN 0932-0784.s 67 - 76. Luo, Yi; Norman, Patrick; Ruud, Kenneth; Ågren, Hans. Molecular length dependence of optical properties of hydrocarbon oligomers. Chemical Physics Letters 1998; Volum 285. ISSN 0009-2614.s 160 - . Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve; Dahle, Pål; Koch, Henrik; Taylor, Peter R.. The Hartree-Fock magnetizability of C60. Chemical Physics Letters 1998; Volum 285. ISSN 0009-2614.s 205 - . Coriani, Sonia; Jaszunski, Michal; Rizzo, Antonio; Ruud, Kenneth. MCSCF nuclear magnetic shieldings and spin-rotation constants of (17O) in (16O)(17O)(16O) and (17O)(16O)(16O). Chemical Physics Letters 1998; Volum 287. ISSN 0009-2614.s 677 - . Ruud, Kenneth; Jonsson, Dan; Norman, Patrick; Ågren, Hans; Saue, Trond; Jensen, Hans Jørgen Aa.; Dahle, Pål; Helgaker, Trygve. Generalized integral screening for efficient calculations of nonlinear optical properties of large molecules. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 7973 - . Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth; Gorska, Anna. Basis-set dependence of nuclear spin-spin coupling constants. Theoretical Chemistry Accounts 1998; Volum 99. ISSN 1432-881X.s 175 - . Ruud, Kenneth; Vaara, Juha; Lounila, Juhani; Helgaker, Trygve. Vibrationally averaged magnetizabilities and rotational g tensors of the water molecule. Chemical Physics Letters 1998; Volum 297. ISSN 0009-2614.s 467 - . Vaara, Juha; Lounila, Juhani; Ruud, Kenneth; Helgaker, Trygve. Rovibrational effects, temperature dependence and isotope effects on the nuclear shielding tensors of water: A new 17O absolute shielding scale. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 8388 - . Coriani, Sonia; Hattig, Christof; Jørgensen, Poul; Rizzo, Antonio; Ruud, Kenneth. Coupled cluster investigation of the electric-field-gradient-induced birefringence of H2, N2, C2H2, and CH4. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 7176 - . Minaev, Boris; Vaara, Juha; Ruud, Kenneth; Vahtras, Olav; Ågren, Hans. Internuclear distance dependence of the spin-orbit coupling contributions to proton NMR chemical shifts. Chemical Physics Letters 1998; Volum 295. ISSN 0009-2614.s 455 - . Luo, Yi; Jonsson, Dan; Norman, Patrick; Ruud, Kenneth; Vahtras, Olav; Minaev, Boris; Ågren, Hans; Rizzo, Antonio. Some Recent Developments of High-Order Response Theory. International Journal of Quantum Chemistry 1998; Volum 70. ISSN 0020-7608.s 219 - . Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszunski, Michal. Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 2264 - . Vaara, Juha; Ruud, Kenneth; Vahtras, Olav; Ågren, Hans; Jokisaari, Jukka. Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 1212 - . Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Full CI Calculations of Magnetic Properties of the H2 Molecule in the B1 Sigma+u State. Polish Journal of Chemistry 1998; Volum 72. ISSN 0137-5083.s 1405 - . Jonsson, Dan; Norman, Patrick; Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve. Electric and magnetic properties of fullerenes. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 572 - . Jonsson, Dan; Luo, Yi; Ruud, Kenneth; Norman, Patrick; Ågren, Hans. Calculations of circular intensity differences in electric-field-induced second harmonic generation. Chemical Physics Letters 1998; Volum 288. ISSN 0009-2614.s 371 - . Haaland, Arne; Scherer, Wolfgang; Ruud, Kenneth; McGrady, G. Sean; Downs, Anthony J.; Swang, Ole. On The Nature and Incidence of ß-Agostic Interactions in Ethyl Derivatives of Early Transition Metals: Ethyltitanium Trichloride and Related Compounds. Journal of the American Chemical Society 1998; Volum 120. ISSN 0002-7863.s 3762 - . Ruud, Kenneth; Ågren, Hans; Dahle, Pål; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Koch, Henrik; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt Valentin. The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 599 - 603. Åstrand, Per-Olof; Mikkelsen, Kurt Valentin; Jørgensen, Poul; Ruud, Kenneth; Helgaker, Trygve. Solvent effects on nuclear shieldings and spin–spin couplings of hydrogen selenide. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 2528 - 2537.s doi: 10.1063/1.475656. Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve; Dahle, Pål; Koch, Henrik; Taylor, Peter R.. The Hartree–Fock limit magnetizability of C60. Chemical Physics Letters 1998; Volum 285. ISSN 0009-2614.s 205 - 209. Ruud, Kenneth; Jonsson, Dan; Norman, Patrick; Ågren, Hans; Saue, Trond; Jensen, Hans Jørgen Aagard; Dahle, Pål; Helgaker, Trygve. Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 7973 - 7979. Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth; Gorska, Anna. Basis-set dependence of spin–spin coupling constants. Theoretical Chemistry Accounts 1998; Volum 99. ISSN 1432-881X.s 175 - 182. Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Full CI calculations of magnetic properties of the H2 molecule in the B1 Sigma+u state. Polish Journal of Chemistry 1998; Volum 72. ISSN 0137-5083.s 1405 - 1410. Jonsson, Dan; Norman, Patrick; Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve. The electric and magnetic properties of fullerenes. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 572 - 576. Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszunski, Michal. Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 2264 - 2274. Vaara, Juha; Lounila, Juhani; Ruud, Kenneth; Helgaker, Trygve. Rovibrational effects, temperature dependence, and isotope effects on the nuclear shielding tensors of water: A new 17O absolute shielding scale. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 8388 - 8397. Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt Valentin; Helgaker, Trygve. Atomic charges of the water molecule and the water dimer. Journal of Physical Chemistry A 1998; Volum 102. ISSN 1089-5639.s 7686 - 7691. Ruud, Kenneth; Vaara, Juha; Lounila, Juhani; Helgaker, Trygve. Vibrationally averaged magnetizabilities and rotational g tensors of the water molecule. Chemical Physics Letters 1998; Volum 297. ISSN 0009-2614.s 467 - 474. Voges, K.; Sutter, Dieter H.; Ruud, Kenneth; Helgaker, Trygve. The molecular Zeeman effect of nonbornadiene, its g-values, magnetizability anisotropies, and molecular quadrupole moment; a high-resolution microwave Fourier-transform study combined with quantum chemical calculations. Zeitschrift fur Naturforschung A-A Journal of Physical Sciences 1998; Volum 53. ISSN 0932-0784.s 67 - 76. Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul. The effect of correlation on molecular magnetizabilities and rotational g tensors. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 10599 - 10606. Ruud, Kenneth; Helgaker, Trygve. The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited. Chemical Physics Letters 1997; Volum 264. ISSN 0009-2614.s 17 - . Mikkelsen, Kurt V.; Jørgensen, Poul; Ruud, Kenneth; Helgaker, Trygve. A multipole reaction-field model for gauge-origin independent magnetic properties of solvated molecules. Journal of Chemical Physics 1997; Volum 106. ISSN 0021-9606.s 1170 - . Fernandez, Berta; Christiansen, Ove; Jørgensen, Poul; Byberg, Jørgen; Gauss, Jurgen; Ruud, Kenneth. Hyperfine and nuclear quadrupole coupling in chlorine and fluorine dioxides. Journal of Chemical Physics 1997; Volum 106. ISSN 0021-9606.s 1847 - . Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. Cotton-Mouton effect and shielding polarizabilities in ethylene: an MCSCF study. Chemical Physics 1997; Volum 216. ISSN 0301-0104.s 53 - . Ruud, Kenneth; Helgaker, Trygve; Uggerud, Einar. Mechanisms, energetics and dynamics of a key reaction sequence during the decomposition of nitromethane: HNO + HNO -> N2O + H2O. Journal of Molecular Structure: THEOCHEM 1997; Volum 393. ISSN 0166-1280.s 59 - . Ruud, Kenneth; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Mikkelsen, Kurt V.. The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 894 - . Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Ab initio calculation of the NMR shielding and indirect spin-spin coupling constants of fluoroethylene. Molecular Physics 1997; Volum 91. ISSN 0026-8976.s 881 - . Lounila, Juhani; Vaara, Juha; Hiltunen, Yrjø; Pulkkinen, Anja; Jokisaari, Jukka; Ala-Korpela, Mika; Ruud, Kenneth. Isotope and temperature effects on the 13C and 77Se nuclear shielding in carbon diselenide. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 1350 - . Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul. The effect of correlation on molecular magnetizabilities and rotational g tensors. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 10599 - . Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. Cotton–Mouton effect and shielding polarizabilities in ethylene: an MCSCF study. Chemical Physics 1997; Volum 216. ISSN 0301-0104.s 53 - 66. Ruud, Kenneth; Helgaker, Trygve. The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited. Chemical Physics Letters 1997; Volum 264. ISSN 0009-2614.s 17 - 23. Mikkelsen, Kurt Valentin; Jørgensen, Poul; Ruud, Kenneth; Helgaker, Trygve. A multipole reaction-field model for gauge-origin independent magnetic properties of solvated molecules. Journal of Chemical Physics 1997; Volum 106. ISSN 0021-9606.s 1170 - 1180. Ruud, Kenneth; Helgaker, Trygve; Uggerud, Einar. Mechanisms, energetics and dynamics of a key reaction sequence during the decomposition of nitromethane: HNO + HNO -> N2O + H2O. Journal of Molecular Structure: THEOCHEM 1997; Volum 393. ISSN 0166-1280.s 59 - 71. Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt Valentin; Helgaker, Trygve. The magnetizability anisotropy and rotational g factor of deuterium hydride and the deuterium molecule. Chemical Physics Letters 1997; Volum 271. ISSN 0009-2614.s 163 - 166.s doi: 10.1016/S0009-2614(97)00429-6. Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Ab initio calculation of the NMR shielding and indirect spin–spin coupling constants in fluoroethylene. Molecular Physics 1997; Volum 91. ISSN 0026-8976.s 881 - 889. Ruud, Kenneth; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Mikkelsen, Kurt Valentin. The Cotton–Mouton effect of liquid water. Part I: The dielectric continuum model. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 894 - 901. Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt Valentin; Helgaker, Trygve. Electric and magnetic properties of the nitroethene molecule. Molecular Physics 1997; Volum 92. ISSN 0026-8976.s 89 - 96.s doi: 10.1080/002689797170644. Ruud, Kenneth; Åstrand, Per-Olof; Helgaker, Trygve; Mikkelsen, Kurt Valentin. Full CI calculations of the magnetizability and rotational g factor of the hydrogen molecule. Journal of Molecular Structure: THEOCHEM 1996; Volum 388. ISSN 0166-1280.s 231 - 235.s doi: 10.1016/S0166-1280(96)80036-4,. Barszczewicz, Andrzej; Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Long-range effects of interatomic interactions on NMR shielding constants. Chemical Physics Letters 1996; Volum 250. ISSN 0009-2614.s 1 - . Norman, Patrick; Jonsson, Dan; Ågren, Hans; Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve; Koch, Henrik. Efficient parallel implementation of response theory: calculations of the second hyperpolarizability of polyacenes. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 1 - . Mikkelsen, Kurt V.; Ruud, Kenneth; Helgaker, Trygve. Magnetizability and nuclear shielding constants of solvated water. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 443 - . Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4. Molecular Physics 1996; Volum 88. ISSN 0026-8976.s 931 - . Braun, Peter A.; Rebane, Toomas K.; Ruud, Kenneth. Vibrational magnetism of HCN and its isotopomers using rotational London atomic orbitals. Chemical Physics 1996; Volum 208. ISSN 0301-0104.s 341 - . Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Ab Initio Studies of the [AX]2 Spin Systems of cis- and trans-N2F2. Magnetic Resonance in Chemistry 1996; Volum 34. ISSN 0749-1581.s 646 - . Gauss, Jurgen; Ruud, Kenneth; Helgaker, Trygve. Perturbation-dependent atomic orbitals for the calculation of spin-rotation constants and rotational g tensors. Journal of Chemical Physics 1996; Volum 105. ISSN 0021-9606.s 2804 - . Bueker, Heinz-Hermann; Helgaker, Trygve; Ruud, Kenneth; Uggerud, Einar. Energetics and Dynamics of Intermolecular Proton-Transfer Processes. 2. Ab Initio Direct Dynamics Calculations of the Reaction H3O+ + NH3 -> NH4+ + H2O. Journal of Physical Chemistry 1996; Volum 100. ISSN 0022-3654.s 15388 - . Barszczewicz, Andrzej; Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Long-range effects of interatomic interactions on NMR shielding constants. Chemical Physics Letters 1996; Volum 250. ISSN 0009-2614.s 1 - 8. Norman, Patrick; Jonsson, Dan; Ågren, Hans; Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve; Koch, Henrik. Efficient parallel implementation of response theory: calculations of the second hyperpolarizability of polyacenes. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 1 - 7. Mikkelsen, Kurt Valentin; Ruud, Kenneth; Helgaker, Trygve. Magnetizability and nuclear shielding constants of solvated water. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 443 - 447. Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4. Molecular Physics 1996; Volum 88. ISSN 0026-8976.s 931 - 947. Gauss, Jurgen; Ruud, Kenneth; Helgaker, Trygve. Perturbation-dependent atomic orbitals for the calculation of spin–rotation constants and rotational g tensors. Journal of Chemical Physics 1996; Volum 105. ISSN 0021-9606.s 2804 - 2812. Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Ab initio studies of the [AX]2 spin systems of cis- and trans-N2F2. Magnetic Resonance in Chemistry 1996; Volum 34. ISSN 0749-1581.s 646 - 649. Bueker, Heinz-Hermann; Helgaker, Trygve; Ruud, Kenneth; Uggerud, Einar. Energetics and dynamics of intermolecular proton-transfer processes. 2. Ab initio direct dynamics calculations of the reaction H3O+ +NH3 -> NH4+ + H2O. Journal of Physical Chemistry 1996; Volum 100. ISSN 0022-3654.s 15388 - 15392. Åstrand, Per-Olof; Mikkelsen, Kurt Valentin; Ruud, Kenneth; Helgaker, Trygve. Magnetizabilities and nuclear shielding constants of the fluoromethanes in gas phase and solution. Journal of Physical Chemistry 1996; Volum 100. ISSN 0022-3654.s 19771 - 19782.s doi: 10.1021/jp961701e. Helgaker, Trygve; Ruud, Kenneth; Taylor, Peter R.. Second-order methods for the optimization of molecular potential energy surfaces. Kluwer Academic Publishers 1995 ISBN 0-7923-3589-9.s 109 - 136. Jaszunski, Michal; Szymanski, Slawomir; Christiansen, Ove; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth. NMR properties of N3–. A comparison of theory and experiment. Chemical Physics Letters 1995; Volum 243. ISSN 0009-2614.s 144 - 150. Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth; Jørgensen, Poul; Bak, Keld L.; Koch, Henrik. SCF calculations of the NMR shielding tensor for the ethylenic carbon atom in C3Cl4. Molecular Physics 1995; Volum 85. ISSN 0026-8976.s 671 - 673. Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth; Barszczewicz, Andrzej; Jaszunski, Michal; Jørgensen, Poul. Electric field dependence of magnetic properties: Multiconfigurational self-consistent field calculations of hypermagnetizabilities and nuclear shielding polarizabilities of N2, C2H2, HCN, and H20. Journal of Chemical Physics 1995; Volum 102. ISSN 0021-9606.s 8953 - 8966. Ruud, Kenneth; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe. Accurate magnetizabilities of the isoelectronic series BeH–, BH, and CH+. The MCSCF–GIAO approach. Chemical Physics 1995; Volum 195. ISSN 0301-0104.s 157 - 169. Barszczewicz, Andrzej; Helgaker, Trygve; Jaszunski, Michal; Jørgensen, Poul; Ruud, Kenneth. NMR shielding tensors and indirect spin–spin coupling tensors in HCN, HNC, CHCN, and CH3NC molecules. Journal of Magnetic Resonance - Series A 1995; Volum 114. ISSN 1064-1858.s 212 - 218. Øiestad, Elisabeth Leere; Øiestad, Åse Marit Leere; Skaane, Haakon; Ruud, Kenneth; Helgaker, Trygve; Uggerud, Einar; Vulpius, Tore. Loss of H2 from CH3NH3+, CH3OH2+ and CH3FH+. Reaction mechanisms and dynamics from observation of metastable ion fragmentations and ab initio calculations. European mass spectrometry (Print) 1995; Volum 100. ISSN 1356-1049.s 121 - 129. Ruud, Kenneth; Helgaker, Trygve; Olsen, Jeppe; Jørgensen, Poul; Bak, Keld L.. A numerically stable orbital connection for the calculation of analytical Hessians using perturbation-dependent basis sets. Chemical Physics Letters 1995; Volum 235. ISSN 0009-2614.s 47 - 52. Bak, Keld L.; Hansen, Aage Erik; Ruud, Kenneth; Helgaker, Trygve; Olsen, Jeppe; Jørgensen, Poul. Ab initio calculation of electronic circular dichroism for trans-cyclooctene using London atomic orbitals. Theoretical Chemistry Accounts 1995; Volum 90. ISSN 1432-881X.s 441 - 458. Olsen, Jeppe; Bak, Keld L.; Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul. Orbital connections for perturbation-dependent basis sets. Theoretical Chemistry Accounts 1995; Volum 90. ISSN 1432-881X.s 421 - 439. Helgaker, Trygve; Ruud, Kenneth; Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe. Vibrational Raman optical activity calculations using London atomic orbitals. Faraday Discussions Chemical Society 1994; Volum 99. ISSN 0301-7249.s 165 - 180. Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth; Bak, Keld L.; Jørgensen, Poul. MCSCF calculations of nitrogen NMR shielding constants using London atomic orbitals. Chemical Physics Letters 1994; Volum 220. ISSN 0009-2614.s 154 - . Jaszunski, Michal; Jørgensen, Poul; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of Verdet constants. Chemical Physics Letters 1994; Volum 222. ISSN 0009-2614.s 263 - . Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aa.. Basis set convergence of atomic axial tensors obtained from self-consistent field calculations using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 6620 - . Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika; Jørgensen, Poul; Bak, Keld L.; Jensen, Hans Jørgen Aa.. Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 8178 - . Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. Theoretical calculations of the magnetizability of some small fluorine-containing molecules using London atomic orbitals. Chemical Physics Letters 1994; Volum 223. ISSN 0009-2614.s 12 - . Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. An ab initio nuclear magnetic resonance spectrum of vinyllithium. Chemical Physics Letters 1994; Volum 226. ISSN 0009-2614.s 1 - . Barszczewicz, Andrzej; Helgaker, Trygve; Jaszunski, Michal; Jørgensen, Poul; Ruud, Kenneth. Multiconfigurational self-consistent field calculations of nuclear magnetic resonance indirect spin-spin coupling constants. Journal of Chemical Physics 1994; Volum 101. ISSN 0021-9606.s 6822 - . Ruud, Kenneth; Skaane, Haakon; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul. Magnetizability of Hydrocarbons. Journal of the American Chemical Society 1994; Volum 116. ISSN 0002-7863.s 10135 - . Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth. Basis set convergence and correlation effects in vibrational circular dichroism calculations using London atomic orbitals. Faraday Discussions Chemical Society 1994; Volum 99. ISSN 0301-7249.s 121 - 129. Ruud, Kenneth; Skaane, Haakon; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul. Magnetizability of hydrocarbons. Journal of the American Chemical Society 1994; Volum 116. ISSN 0002-7863.s 10135 - 10140. Barszczewicz, Andrzej; Helgaker, Trygve; Jaszunski, Michal; Jørgensen, Poul; Ruud, Kenneth. Multiconfigurational self-consistent field calculations of nuclear magnetic resonance indirect spin–spin coupling constants. Journal of Chemical Physics 1994; Volum 101. ISSN 0021-9606.s 6822 - 6828. Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. An ab initio nuclear magnetic resonance spectrum of vinyllithium. Chemical Physics Letters 1994; Volum 226. ISSN 0009-2614.s 1 - 10. Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. Theoretical calculations of the magnetizability of some small fluorine-containing molecules using London atomic orbitals. Chemical Physics Letters 1994; Volum 223. ISSN 0009-2614.s 12 - 18. Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika; Jørgensen, Poul; Bak, Keld L.; Jensen, Hans Jørgen Aagard. Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 8178 - 8185. Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aagard. Basis set convergence of atomic axial tensors obtained from self-consistent field calculations using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 6620 - 6627. Jaszunski, Michal; Jørgensen, Poul; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of Verdet constants. Chemical Physics Letters 1994; Volum 222. ISSN 0009-2614.s 263 - 266. Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth; Bak, Keld L.; Jørgensen, Poul. MCSCF calculations of nitrogen NMR shielding constants using London atomic orbitals. Chemical Physics Letters 1994; Volum 220. ISSN 0009-2614.s 154 - 160. Ruud, Kenneth; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul; Jensen, Hans Jørgen Aagard. Hartree–Fock limit magnetizabilities from London orbitals. Journal of Chemical Physics 1993; Volum 99. ISSN 0021-9606.s 3847 - 3859. Jaszunski, Michal; Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aa.. Nuclear magnetic shielding tensor for the ethylenic carbon atom in tetrachlorocyclopropene. Chemical Physics Letters 1993; Volum 204. ISSN 0009-2614.s 608 - . Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aa.. Gauge-origin independent multiconfigurational self-consistent-field theory for vibrational circular dichroism. Journal of Chemical Physics 1993; Volum 98. ISSN 0021-9606.s 8873 - . Ruud, Kenneth; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul; Jensen, Hans Jørgen Aa.. Hartree-Fock limit magnetizabilities from London orbitals. Journal of Chemical Physics 1993; Volum 99. ISSN 0021-9606.s 3847 - . Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aagard. Gauge-origin independent multiconfigurational self-consistent-field theory for vibrational circular dichroism. Journal of Chemical Physics 1993; Volum 98. ISSN 0021-9606.s 8873 - 8887. Jaszunski, Michal; Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aagard. Nuclear magnetic shielding tensor for the ethylenic carbon atom in tetrachlorocyclopropene. Chemical Physics Letters 1993; Volum 204. ISSN 0009-2614.s 608 - 610. Jaszunski, Michal; Jensen, Hans Jørgen Aagard; Jørgensen, Poul; Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth. The magnetic hyperpolarizability anisotropy of the neon atom. Chemical Physics Letters 1992; Volum 191. ISSN 0009-2614.s 599 - 602. Jaszunski, Michal; Jensen, Hans Jørgen Aa.; Jørgensen, Poul; Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth. The magnetic hyperpolarizability anisotropy of the neon atom. Chemical Physics Letters 1992; Volum 191. ISSN 0009-2614.s 599 - .
Norman, Patrick; Ruud, Kenneth; Saue, Trond. Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations. John Wiley & Sons 2018 ISBN 978-0-470-72562-7.
Ruud, Kenneth. Hvordan lykkes som ung forsker på 2020-tallet?. Vintersamling, Akademiet for Yngre Forskere 2021-01-14 - 2021-01-14 2021. Kadek, Marius; Joosten, Marc; Repisky, Michal; Ruud, Kenneth. Four-component Dirac-Kohn-Sham theory for relativistic band structures of periodic systems based on Gaussian-type orbitals. XIIIth Workshop on Modern Methods in Quantum Chemistry 2020-03-01 - 2020-03-06 2020. Ruud, Kenneth; Brändas, Erkki J.. Preface. Advances in Quantum Chemistry 2020; Volum 81. ISSN 0065-3276.s xiii - xvii. Ghosh, Abhik; Ruud, Kenneth. Skandale i kjemitidsskrift: Et varsko for norsk akademia?. Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. Å lede mot åpen forskning. Digitaliseringskonferansen for høyere utdanning og forskning 2020 2020-05-26 - 2020-05-28 2020. Ruud, Kenneth. Oversikt over marin FoU-innsats i Norge: Et nordlig perspektiv. Strategimøte i Lakseklyngen 2020-09-29 - 2020-09-29 2020. Ruud, Kenneth. Åpen tilgang til forskning: Muligheter og utfordringer. Open access – muligheter og forskningsetiske utfordringer 2020-10-06 - 2020-10-06 2020. Ruud, Kenneth. Hvordan kan et universitet legge til rette for åpen forskning?. Open Science Week ved UiS og USN 2020-10-19 - 2020-10-19 2020. Ruud, Kenneth. Science in the digital age. All-Russian Festival of Science 2020-10-16 - 2020-10-16 2020. Ruud, Kenneth; Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Reine, Simen Sommerfelt. OpenRSP Version v.1.0.0. (https://github.com/openrsp/openrsp/releases/tag/v1.0.0) 2020. Ruud, Kenneth. Akademisk frihet og åpen publisering. (Fulltekst: https://khrono.no/akademisk-frihet-og-apen-publisering/476640 Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. En levende dialog om Plan S og rettigheter. (Fulltekst: https://khrono.no/en-levende-dialog-om-plan-s-og-rettigheter/458908 Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. Vi mener dette er akseptabel forskjellsbehandling. (Fulltekst: https://khrono.no/vi-mener-dette-er-akseptabel-forskjellsbehandling/464631 Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. Research leadership: From PhD student to research group leader. ARCTOS PhD school seminar 2020-03-09 - 2020-03-09 2020. Ruud, Kenneth. Samspill mellom faglig ledelse og forskningsadministrativ ledelse: Forventninger og samarbeidsmuligheter. NARMAs lederseminar 2020-02-18 - 2020-02-19 2020. Ruud, Kenneth. From real-time method to (quasi)-energy derivatives: Theory and examples of molecular property calculations. Norwegian Russian Winter school in Tomsk "Experimental advanced fluorescence spectroscopy of organic molecules and biological systems" 2020-01-25 - 2020-01-27 2020. Ruud, Kenneth. Åpen forskning er rett løsning. (Fulltekst: https://www.aftenposten.no/meninger/debatt/i/zGjKKb/aapen-forskning-vi-maa-gaa-fra-hvorfor-til-hvordan-kenneth-ruud Aftenposten (morgenutg. : trykt utg.) 2020. ISSN 0804-3116.s 25 - 25. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. Full-potential relativistic four-component Dirac-Kohn-Sham method for periodic systems using Gaussian-type functions. Bulletin of the American Physical Society (Sammendrag: http://meetings.aps.org/Meeting/MAR19/Session/V18.5) 2019-03-23 - 2019-03-23 2019. Husebekk, Anne; Ruud, Kenneth; Eikeland, Sveinung; Gotaas, Geir. Arctic Advanced Education and Research. Palgrave Macmillan 2019 ISBN 978-3-030-20556-0.s 133 - 141.s doi: 10.1007/978-3-030-20557-7_9. Helgaker, Trygve; Ruud, Kenneth; Røsjø, Bjarne. Forskerne ved Hylleraas-senteret jakter på kjemiens hellige gral. 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. European Summerschool in Quantum Chemistry 2019-09-08 - 2019-09-21 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. 17th International Conference on Chiroptical Spectroscopy 2019-06-23 - 2019-06-27 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. Chirality in Industry: Integrated Solutions for Vibrational Circular Dichroism 2019-04-23 - 2019-04-26 2019. Ruud, Kenneth. Computational optical spectroscopy. Norwegian-Russian two-week summer school seminar 2019-06-17 - 2019-06-29 2019. Ruud, Kenneth. Computational approaches to linear and nonlinear chiroptical spectroscopy. 17th International Conference on Chiroptical Spectroscopy 2019-06-23 - 2019-06-27 2019. Ruud, Kenneth. Arctic challenges and opportunities. Arctic seminar 2019-06-26 - 2019-06-26 2019. Ruud, Kenneth. Norwegian contributions to Arctic research. Arctic seminar 2019-06-26 - 2019-06-26 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. Grand Challenges for Theoretical Chemistry 2019-08-19 - 2019-08-21 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. Current Trends in Theoretical Chemistry VIII 2019-09-01 - 2019-09-05 2019. Ruud, Kenneth. Relativt god kjemi. Hylleraas-dagen 2019 2019-09-21 - 2019-09-21 2019. Ruud, Kenneth. Hvordan kan akademia styrke norsk oljevernberedskap?. Forum for framtidas oljevern 2019-09-17 - 2019-09-18 2019. Ruud, Kenneth. Calculating molecular properties: From real-time method to (quasi)-energy derivatives. 2nd Quantum International Frontiers 2019-11-18 - 2019-11-22 2019. Konecny, Lukas; Repisky, Michal; Ruud, Kenneth; Komorovsky, Stanislav. Relativistic four-component linear damped response time-dependent density functional theory. Hausmøte for NKS kvantekjemi og modellering 2019-10-08 - 2019-10-09 2019. Konecny, Lukas; Kadek, Marius; Alam, Mehboob; Ruud, Kenneth; Repisky, Michal. Calculation of Molecular Properties Using Relativistic Real-Time TDDFT. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019. Konecny, Lukas; Kadek, Marius; Ruud, Kenneth; Repisky, Michal. Relativistic real-time time-dependent density functional theory for molecular properties. APS March meeting 2019-03-04 - 2019-03-08 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron relativistic four-component Dirac-Kohn-Sham theory for solids using Gaussian-type functions. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019. Ruud, Kenneth. Nasjonal e-infrastruktur for forskning frem mot 2030. Digitaliseringskonferansen 2019-04-09 - 2019-04-10 2019. Ruud, Kenneth. Åpen vitenskap i et digitaliseringsperspektiv. Digitaliseringskonferansen 2019-04-09 - 2019-04-10 2019. Ruud, Kenneth. Towards the calculation of multidimensional vibrational spectra. American Physical Society March Meeting 2019-03-04 - 2019-03-08 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. 59th Sanibel Symposium 2019-02-17 - 2019-02-22 2019. Ruud, Kenneth. Open Access, PlanS and DORA. EVERYTHING YOU NEED TO KNOW ABOUT PLAN S, ELSEVIER, AND THE TRANSITION TOWARDS OPEN SCIENCE 2019-01-09 - 2019-01-09 2019. Ruud, Kenneth; Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Reine, Simen Sommerfelt; Thorvaldsen, Andreas johan. OpenRSP Version v.1.0.0-alpha. (https://github.com/openrsp/openrsp/releases/tag/v1.0.0-alpha) 2018. Ruud, Kenneth. Relativistic effects in chemistry: Relatively unimportant?. Department Seminar University of Zurich 2018-12-18 - 2018-12-18 2018. Ruud, Kenneth. Relativistic calculations of molecular properties in the time and frequency domain. MEthods and ALgorithms in Quantum Chemistry 2018-12-13 - 2018-12-15 2018. Ruud, Kenneth. Implementing DORA at UiT The Arctic University of Norway. 13th Munin Conference 2018 on November 28–29 2018-11-28 - 2018-11-29 2018. Ruud, Kenneth. Implementing DORA. 2018. Ruud, Kenneth. Relativt god kjemi. Hylleraas-dagen 2018 2018-11-17 - 2018-11-17 2018. Ruud, Kenneth; Eldevik, Tor. The Nansen Legacy - An interdisciplinary research project on the climate and ecosystem of the Barents Sea – a gateway to a changing Arctic. Arctic science cooperation with Norway 2018-10-24 - 2018-10-24 2018. Ruud, Kenneth. The Nansen Legacy - An interdisciplinary research project on the climate and ecosystem of the Barents Sea – a gateway to a changing Arctic. Arctic Circle 2018 2018-10-19 - 2018-10-21 2018. Ruud, Kenneth. Optical Probe Sensors at Biological Environments OPS@BE. 25th Anniversary of collaboration between UiT The Arctic University of Norway and Russia 2018-09-29 - 2018-09-29 2018. Ruud, Kenneth. Towards gender balance in research (at UiT). Gender Equality Workshop 2018 2018-09-24 - 2018-09-25 2018. Ruud, Kenneth. Relativistic Real-time Calculations of Molecular Properties. A Voyage from Nonlinear Optics to Biophotonics joining Theory and Experiment 2018-09-21 - 2018-09-22 2018. Ruud, Kenneth. Det norske tellekantsystemet: — Står vi i fare for å falle utfor kanten?. (Fulltekst: https://khrono.no/tellekant-uit/det-norske-tellekantsystemet%E2%80%94star-vi-i-fare-for-a-falle-utfor-kanten/222013 Khrono.no 2018. ISSN 1894-8995. Ruud, Kenneth. Open Access som beskyttelse mot røvertidsskrift. (Fulltekst: https://khrono.no/uit-kenneth-ruud-oa/open-access-som-beskyttelse-mot-rovertidsskrift/236563 Khrono.no 2018. ISSN 1894-8995. Ringholm, Magnus; Ruud, Kenneth. 2D-IR spectroscopy with Wilson and OpenRSP. Foredrag under faglig besøk ved KTH (Stockholm) 2018-03-27 - 2018-03-27 2018. Ruud, Kenneth; Paul, Lopa; Chakrabarti, Swapan. Phosphorescence and triplet lasing in organic and organometallic systems. 4th Polish-Taiwanese Conference: From Molecular Modeling to Nano- and Biotechnology 2018-08-29 - 2018-08-31 2018. Ruud, Kenneth. Reliable modeling of multiphoton absorption cross sections in complex (molecular) systems. 11th International Conference on Nanophotonics, ICNP2018 2018-07-02 - 2018-07-06 2018. Ruud, Kenneth. Modeling nonlinear and multidimensional spectroscopies in complex systems. City of Wroclaw Visiting Professor Guest Lecture 2018-06-27 - 2018-06-27 2018. Ruud, Kenneth. Relativistic effects in chemistry: Relatively unimportant?. City of Wroclaw Visiting Professor Guest Lecture 2018-06-26 - 2018-06-26 2018. Ruud, Kenneth. Going big and complex. HPC meets materials 2018-05-25 - 2018-05-25 2018. Ruud, Kenneth. Vibrational optical activity and absolute configuration of natural products. Digibiotics kick-off meeting 2018-01-24 - 2018-01-25 2018. Ruud, Kenneth. Novel Chiroptical Spectroscopies. 255th American Chemical Society Meeting 2018-03-18 - 2018-03-22 2018. Helgaker, Trygve; Ruud, Kenneth. Langsiktig fra Forskningsrådet. (Fulltekst: https://khrono.no/moser-fremragende-helgaker/langsiktig-fra-forskningsradet/209148 Khrono.no 2018. ISSN 1894-8995. Ruud, Kenneth; Chakrabarti, Swapan; Paul, Lopa. Anomalous phosphorescence in organic and organometallic systems. Molecules in Extreme Environments 2018-01-15 - 2018-01-17 2018. Reigstad, Marit; Ruud, Kenneth; Huse, Geir; Stenseth, Nils Christian. «Landslag» skal forske i Arktis. (Fulltekst: http://web.retriever-info.com/go/?u=http%3A%2F%2Fweb.retriever-info.com%2Fservices%2Fmonitor%2FdisplayPDF&a=61679&d=0550122017051368e60f6bce10bc3f02264a571d402611&sa=2016516&x=aac69dabe3362d6d37f30654 2017. Helgaker, Trygve; Ruud, Kenneth. 10 år med god kjemi. (Fulltekst: http://nordnorskdebatt.no/article/10-ar-god-kjemi Nordlys 2017. ISSN 0805-5440. Flå, Tor; Frediani, Luca; Ruud, Kenneth. Mer enn matematiske krusninger. (Fulltekst: http://nordnorskdebatt.no/article/mer-enn-matematiske-krusninger Nordlys 2017. ISSN 0805-5440. Ruud, Kenneth. Properties, relativity and everything. CTCC Closing meeting 2017-10-02 - 2017-10-04 2017. Ruud, Kenneth. Kjønnsbalanse i akademia: Litt om status ved UiT. Kvikklunsjen om kjønn i akademia 2017-10-18 - 2017-10-18 2017. Ruud, Kenneth. Hvor går norsk PhD utdanning? Et personlig utvalg problemstillinger. Årlig konferanse for doktorer og professorer innen sykepleie 2017-10-18 - 2017-10-19 2017. Ruud, Kenneth. Institutional transformation towards Open Science: Experiences from UiT The Arctic University of Norway. 12th Munin conference on scholarly publishing and communication 2017-11-22 - 2017-11-23 2017. Ruud, Kenneth. Modeling nonlinear and multidimensional spectroscopies in complex systems. Advances in computational modelling: from isolated molecules to soft matter 2017-11-29 - 2017-12-02 2017. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. 4-component relativistic calculations with periodic boundary conditions. Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory 2017-12-08 - 2017-12-09 2017. Ringholm, Magnus; Ruud, Kenneth. Simulating vibrational spectroscopic experiments with Wilson. SciX 2017 2017-10-08 - 2017-10-13 2017. Ruud, Kenneth. The Nansen Legacy: Scientific exploration and sustainable management beyond the ice edge. China-Nordic Arctic Research Symposium 2017-05-24 - 2017-05-26 2017. Ruud, Kenneth. Hvor går norsk PhD utdanning? Et personlig utvalg problemstillinger. Nasjonal forskerutdanningskonferanse 2017-06-07 - 2017-06-08 2017. Ruud, Kenneth. The Nansen Legacy. Møte for nordiske NHO-ledere 2017-09-01 - 2017-09-01 2017. Ruud, Kenneth. Relativistic effects in chemistry: Relatively unimportant?. Brown-Williamson Lecture 2017-03-31 - 2017-03-31 2017. Ruud, Kenneth. Qualitative insight into multiphoton absorption cross sections. XIII International Conference on pulsed lasers and laser applications - AMPL-2017 2017-09-10 - 2017-09-15 2017. Ruud, Kenneth. Modeling one- and multiphoton absorption in biomolecular systems. Modeling Interactions in Biomolecules VIII 2017-09-03 - 2017-09-08 2017. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. 4-component relativistic calculations with periodic boundary conditions. The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists 2017-08-27 - 2017-09-01 2017. Ruud, Kenneth. Higher-Order Response Functions: Qualitative Insight and Medium Effects. Molecular Properties and Computational Spectroscopy 2017-04-10 - 2017-04-12 2017. Ringholm, Magnus; Ruud, Kenneth. Simulating vibrational wave-mixing experiments with Wilson. 9th International Conference on ADVANCED VIBRATIONAL SPECTROSCOPY 2017-06-11 - 2017-06-16 2017. Ruud, Kenneth. Multidimensional vibrational spectra from first principles. 9th International Conference on Advanced Vibrational Spectroscopy 2017-06-11 - 2017-06-16 2017. Ruud, Kenneth. Challenges in predicting molecular properties from ab initio calculations. 2017 eSSENCE meeting on “Multiscale modelling of materials and molecules” 2017-06-12 - 2017-06-14 2017. Reigstad, Marit; Ruud, Kenneth; Geir, Huse; Stenseth, Nils Christian. "Landslag" skal forske i Arktis. Nordlys 2017. ISSN 0805-5440. Ruud, Kenneth. Multiphoton and multidimensional spectroscopy. Xth International Conference of Computational Physics 2017-01-17 - 2017-01-20 2017. Friese, Daniel Henrik; Ruud, Kenneth; Hättig, Christof; Rizzo, Antonio. Multiphoton Circular Dichroism: Challenges for theory, method development and applications. Symposium für Theoretische Chemie 2016 2016-09-26 - 2016-09-29 2016. Ruud, Kenneth. Likestillingsarbeidet ved UiT. Åpningskonferanse, opprykksprosjektet ved UiT 2016-10-28 - 2016-10-28 2016. Ruud, Kenneth. Basis-set error-free calculations of energies and magnetic properties. Magical Mystery Tour of Electron Correlation 2016-10-24 - 2016-10-26 2016. Ruud, Kenneth. Analytic calculations of anharmonic and multidimensional vibrational spectra. 6th International Conference on Perspectives in Vibrational Spectroscopy 2016-11-05 - 2016-11-08 2016. Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan. General Vibrational Spectroscopies with Wilson. Magical Mystery Tour of Electron Correlation 2016-10-24 - 2016-10-26 2016. Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan. General Vibrational Spectroscopies with Wilson. CMDS 2016 2016-06-29 - 2016-07-01 2016. Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Ruud, Kenneth; Thorvaldsen, Andreas johan; Cornaton, Yann; Louant, Orian; Reine, Simen Sommerfelt. Analytic high-order properties with OpenRSP. COST MOLIM WG3 Meeting 2016 2016-03-21 - 2016-03-22 2016. Ruud, Kenneth. Multiphoton absorption and vibrational chiroptical spectroscopy in complex environments. Symposium Theoretischer Chemie 2016-09-26 - 2016-09-29 2016. Ruud, Kenneth. Basis-set error-free calculations of energies and magnetic properties. Swedish Theoretical Chemistry 2016 2016-08-17 - 2016-08-19 2016. Ruud, Kenneth. Two short stories on relativistic effects in chemistry. IXth Conference of the International Society for Theoretical Chemical Physics 2016-07-17 - 2016-07-22 2016. Ruud, Kenneth. PhD: Rekruttere − og sende videre. Institusjonenes doble oppdrag. Nasjonal forskerutdanningskonferanse 2016-06-06 - 2016-06-06 2016. Ruud, Kenneth. Pure and zero-point vibrational corrections to molecular properties. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Vibrational spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Advanced aspects of vibrational spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. UV/VIS Spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Multiphoton spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Magnetizabilities and rotational g tensor. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Electron-spin related properties and EPR. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Birefringences: Theory and examples. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Basis-set error-free HF and DFT calculations of magnetic properties. IXth workshop on modern methods in quantum chemistry 2016-02-21 - 2016-02-27 2016. Ruud, Kenneth. Kutt er ei det beste. Forskerforum 2016 (2). ISSN 0800-1715.s 40 - 40. Ruud, Kenneth; Beerepoot, Maarten. Verdens minste billøp. Nordlys 2016. ISSN 0805-5440.s 3 - 3. Ruud, Kenneth; Buverud, Anna Kolberg; Gran, Tone; Hillesøy, Per Gunnar; Lenschow, Harald; Maurseth, Anne Beate; Sundnes, Jonny Roar; Granaas, Rakel Christina. Fellesgrader på ph.d.-nivå - Introduksjon og veileder. (Fulltekst: https://www.uhr.no/_f/p1/i418e178f-02df-435e-972a-f25faee9669f/veileder_fellesgrader_270116.pdf 2015. Ruud, Kenneth. Linear and nonlinear responses to external fields from real-time two- and four-component TD-DFT calculations. New Frontiers in Relativistic Quantum Chemistry 2015-06-13 - 2015-06-16 2015. Ruud, Kenneth. Partnership for Advanced Computing in Europe (PRACE): Meeting the HPC needs of Europe. CHITEL 2015 2015-07-26 - 2015-07-31 2015. Ruud, Kenneth. New advances and open questions in modeling multidimensional spectroscopy. Open Shells, Open Questions 2015-08-24 - 2015-08-26 2015. Ruud, Kenneth. Ab initio calculations of multiphoton processes. AMPL 2015 2015-09-13 - 2015-09-18 2015. Ruud, Kenneth. Building successful international (research) teams. SAF21 2015-10-15 - 2015-10-15 2015. Ruud, Kenneth. Molecular Spectroscopy: Where theory meets experiment. Forelesning for studenter ved Masaryk Universitet 2015-11-19 - 2015-11-19 2015. Ruud, Kenneth. Hva skal til for å skape fremragende forskning i Norge?. VISTA 30-årsjubileum 2015-11-30 - 2015-11-30 2015. Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth. General vibrational spectroscopies with Wilson. ICAVS 8 2015-07-12 - 2015-07-17 2015. Friese, Daniel Henrik; Ruud, Kenneth; Ringholm, Magnus. High-order non-linear optical and chiroptical property calculations using an open-ended recursive approach. Symposium for Theoretical Chemistry 2015-09-20 - 2015-09-24 2015. Mennucci, Benedetta; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin Helen; Helgaker, Trygve; Ruud, Kenneth. FemEx—Female Excellence in Theoretical and Computational Chemistry. International Journal of Quantum Chemistry 2015. ISSN 0020-7608.s doi: 10.1002/qua.24961. Thorvaldsen, Steinar; Ruud, Kenneth; Luu, Jane. Nytt UiT-teleskop kan vise tusenvis av stjerner på nært hold. Om åpningen av Mohn-teleskopet. 2015. Ruud, Kenneth. The Nordic and European case for HPC. SNIC User Group Meeting 2014 2014-12-15 - 2014. Ruud, Kenneth. Multiphoton spectroscopy, (high-harmonic generation) and anharmonic vibrational effects. CODECS Final Workshop 2014-10-25 - 2014. Ruud, Kenneth. Four-component relativistic calculations in the time domain. 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-23 - 2014. Ruud, Kenneth. Analytic calculations of anharmonic effects in vibrational spectroscopy. European Seminar on Computational Methods in Quantum Chemistry 2014-09-11 - 2014. Ruud, Kenneth. Multiphoton absorption. Future of Electronic Structure Theory: Pushing Our Understanding and Limits 2014-09-08 - 2014. Ruud, Kenneth. Magnetic properties of interacting molecules: A failure of polarizable models?. Solutions for Solvation: International Workshop 2014-08-01 - 2014. Ruud, Kenneth. Analytic DFT calculations of anharmonic force constants. 5th International Conference on Perspectives in Vibrational Spectroscopy 2014-07-11 - 2014. Ruud, Kenneth. Recursive calculation of high-order molecular properties. Gjesteforelesning Indian Association for the Cultivation of Science 2014-07-04 - 2014. Ruud, Kenneth. Molecular Spectroscopy: Where theory meets experiment. Gjesteforelesning Universitetet i Kolkata 2014-07-07 - 2014. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye Beyene; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding. Promoting Female Excellence in Theoretical and Computational Chemistry II (FemEx-Oslo) 2014-06-13 - 2014-06-16 2014. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye Beyene; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding. 10th Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014) 2014-10-05 - 2014-10-10 2014. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye Beyene; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding. REHE-2014, 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-20 - 2014-09-24 2014. Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Ruud, Kenneth; Malkin, Vladimir G.; Malkina, Olga L.. Relativistic calculations of indirect nuclear spin-spin coupling using hybrid functionals. NKS Landsmøte i kjemi 2014-10-29 - 2014-10-30 2014. Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Ruud, Kenneth; Malkin, Vladimir G.; Malkina, Olga L.. Relativistic four-component calculations of indirect nuclear spin-spin coupling using hybrid functionals. 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-20 - 2014-09-24 2014. Friese, Daniel Henrik; Beerepoot, Maarten; Ringholm, Magnus; Ruud, Kenneth. Multiphoton absorption calculation using an open-ended response theory approach - Going beyond one- and two-photon absorption. Symposium for Theoretical Chemistry 2014 2014-09-14 - 2014-09-18 2014. Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. The recursive open-ended response code OpenRSP. STC 2014 2014-09-14 - 2014-09-18 2014. Ofstad, Benedicte; Åstrand, Per-Olof; Ringholm, Magnus; Ruud, Kenneth. Vibrational motion in molecules. 2014. Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. A general, recursive open-ended response code: High-order SCF level properties. VALCA 2013 2013-06-09 - 2013-06-12 2013. Ringholm, Magnus; Ruud, Kenneth. Recursive calculation of high-order molecular response properties. 2013 ISBN 978-82-8236-114-9. Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Four-component relativistic calculations of NMR shielding tensors for paramagnetic systems. DiracMeeting 2013 2013-07-04 - 2013. Komorovsky, Stanislav; Malkin, Elena; Repisky, Michal; Ruud, Kenneth. Redefining the absolute shielding scale of (not only) tin compounds. CTCC meeting 2013-01-31 - 2013. Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Four-component relativistic calculations of NMR shielding tensors for paramagnetic systems. EURACT NMR workshop 2013-07-18 - 2013. Brandsdal, Bjørn Olav; Ruud, Kenneth; Beerepoot, Maarten; Steindal, Arnfinn Hykkerud. Datamodellering i kjemi og biologi, en selvmotsigelse?. Nordlys 2013. ISSN 0805-5440.s 43 - 43. Beerepoot, Maarten; Brandsdal, Bjørn Olav; Ruud, Kenneth; Steindal, Arnfinn Hykkerud. Nobelprisen i kjemi 2013. Kjemi 2013; Volum 73 (6). ISSN 0023-1983.s 18 - 20. Chamberlin, Adam; Bast, Radovan; Ruud, Kenneth. Identifying relativistic effects on (hyper)polarizabilities. Abstract of Papers of the American Chemical Society 2012; Volum 244. ISSN 0065-7727. Tellgren, Erik; Helgaker, Trygve; Ruud, Kenneth; Soncini, Alessandro. Quantum-chemical method development for extended and magnetic systems. (Omtale: http://www.mn.uio.no/forskning/aktuelt/arrangementer/disputaser/2005-2010/tellgren-erik.html) 2009. Chakrabarti, S; Ruud, Kenneth. Intermolecular Interaction-Controlled Tuning of the Two-Photon Absorption of Fullerene Bound in a Buckycatcher. Journal of Physical Chemistry A 2009; Volum 113 (19). ISSN 1089-5639.s 5485 - 5488.s doi: 10.1021/jp902071j. Ruud, Kenneth. Teoretisk kjemi: En selvmotsigelse?. Academia Borealis medlemsmøte 2008-05-29 - 2008-05-29 2008. Solheim, Harald; Ruud, Kenneth; Coriani, Sonia; Norman, Patrick. The A and B terms of magnetic circular dichroism revisited. Journal of Physical Chemistry A 2008; Volum 112 (40). ISSN 1089-5639.s 9615 - 9618.s doi: 10.1021/jp803135x. Ruud, Kenneth. Back to the future: Designing Quantum Chemistry Programs by divide and conquer. COST D37 meeting 2008-12-18 - 2008-12-20 2008. Ruud, Kenneth. Fremragende publisering og formidling. Muninseminaret 2008 2008-11-28 - 2008-11-28 2008. Ruud, Kenneth. Analytical calculations of nonlinear chiroptical properties and birefringences. South-eastern regional meeting of the American Chemical Society 2008-11-12 - 2008-11-15 2008. Ruud, Kenneth; Thorvaldsen, Andreas johan; Bast, Radovan. A General Response Theory Framework for Calculating Higher-Order Molecular Properties. Conference of the World Association of Theoretical and Computational Chemistry 2008-09-15 - 2008-09-19 2008. Ruud, Kenneth. Analytical calculations of ROA spectra for Hartree-Fock and DFT. First International Conference on Vibrational Optical Activity 2008-08-26 - 2008-08-29 2008. Ruud, Kenneth. Molecular properties: Where theory and experiment play together. Opening of the Amsterdam Centre for Multiscale Modeling 2008-06-26 - 2008-06-26 2008. Ruud, Kenneth. Calculating higher-order mixed electric, magnetic and vibrational properties. Young Chemist's Workshop on "Modeling of complex systems" 2008-05-01 - 2008-05-04 2008. Ruud, Kenneth. Calculating higher-order mixed electric, magnetic and vibrational properties. Group seminar 2008-04-24 - 2008-04-24 2008. Ruud, Kenneth. Theoretical calculations of Raman spectroscopy coming of age. Group seminar 2008-04-03 - 2008-04-03 2008. Ruud, Kenneth. Introduksjon til Dr. Atomic av John Adams . Visning av operaen Dr.Atomic 2008-11-09 - 2008-11-09 2008. Ruud, Kenneth. Kjemi på datamaskinen. Bladet Tromsø 2007.s 16 - 17. Ruud, Kenneth. Solvent effects on molecular properties. NANOQUANT avslutningsmøte 2007-03-16 - 2007. Ruud, Kenneth. Solvent effects on chiroptical properties. American Chemical Society meeting Spring 2007 2007-03-25 - 2007. Ruud, Kenneth. A new future for finite-element methods? Multiresolution analysis in quantum chemistry. Gjesteforelesning, Universitetet i Trieste 2007-05-09 - 2007. Ruud, Kenneth. Theoretical modelling of nonlinear optical properties. Nanomatkonferansen 2007 2007-06-06 - 2007. Ruud, Kenneth. Modelling of nonlinear optical properties of solvated molecules. Gjesteforelesning, Universitetet i Perugia 2007-07-04 - 2007. Ruud, Kenneth. A general scheme for higher-order SCF responses. Workshop i forbindelse med dotorgradsdisputas 2007-10-01 - 2007. Ruud, Kenneth. A general scheme for higher-order SCF responses. Quantum Systems in Physics and Chemistry XII 2007-09-03 - 2007. Ruud, Kenneth. Accurate calculations of magnetizabilities and rotational g tensors. Norwegian Theoretical Chemistry: From molecules to nanostructures 2007-11-08 - 2007-11-11 2007. Ruud, Kenneth. Network of National CoEs in Computational Chemistry. NordForsk kick-off meeting 2007-10-10 - 2007-10-11 2007. Ruud, Kenneth. Vibrational corrections to molecular properties. Gjesteforelesning, Beijing University 2007-11-15 - 2007-11-15 2007. Ruud, Kenneth. A general scheme for higher-order SCF responses. China-Nordic Workshop on Quantum Chemistry 2007-11-19 - 2007-11-23 2007. Ruud, Kenneth. eScience trends and infrastructure in Norway, computational chemistry in Norway and the Nordic countries. KTH Scientic Computing 2007-12-06 - 2007. Ruud, Kenneth. Magnetic properties and vibrational corrections. China-Nordic Workshop on Quantum Chemistry 2007-11-19 - 2007-11-23 2007. Ruud, Kenneth. stallo.uit.no: Enabling quantum leaps in quantum chemistry. High-Performance Computing in the Arctic 07 (HPCiA07) 2007-12-10 - 2007. Ruud, Kenneth. A new future for finite-element methods in Quantum Chemistry?. Norwegian eScience Meeting 2007 2007-02-28 - 2007. Ruud, Kenneth. Kjemi uten søl. Matematisk modellering i kjemi. Møte for kjemiolympiadekandidater 2007-03-01 - 2007. Ruud, Kenneth. Velkommen til kjemi! Kjemistudier ved UiT. Møte for kjemiolympiadekandidater 2007-03-01 - 2007. Ruud, Kenneth. Fremtidens forskningsmetode: tungregning. Tungregnedagen ved UiT 2007-09-16 - 2007. Ruud, Kenneth. Nanovitenskap og nanoteknologi: Muligheter for helsevesenet. UNN Ledermøte 2007-09-28 - 2007. Manninen, Pekka; Ruud, Kenneth; Lantto, Pertu; Vaara, Juha. Erratum: "Leading-order relativistic effects on nuclear magnetic resonance shielding tensors" [J.Chem.Phys. 122, 114107 (2005)]. Journal of Chemical Physics 2006; Volum 124. ISSN 0021-9606. Ruud, Kenneth. Computational Chemistry in Norway. META 2006 (2). ISSN 1890-1956.s 10 - 12. Ruud, Kenneth. Solvent effects on electric and magnetic properties. C4 Seminar serie 2006-12-14 - 2006. Ruud, Kenneth. Multiresolution Analysis in Quantum Chemistry. Gruppeseminar 2006-12-07 - 2006. Ruud, Kenneth. The Dalton program system. COST D37 workshop 2006-12-01 - 2006-12-02 2006. Ruud, Kenneth. Dalton: Functionality and interfaces. COST D37-DeciQ møte 2006-12-01 - 2006-12-02 2006. Ruud, Kenneth. Why are ab initio calculations of ROA spectra so expensive?. Instituttkollokvium 2006-10-09 - 2006. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Gruppeseminar, University of Waterloo 2006-05-03 - 2006-05-03 2006. Ruud, Kenneth. HPC Challenges in Quantum Chemistry. NOTUR2006 2006-05-11 - 2006-05-12 2006. Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. ICQC 2006 2006-05-21 - 2006-05-26 2006. Gauss, Jurgen; Kallay, Mihaly; Ruud, Kenneth. Gauge-origin independent CC calculations of magnetizabilities and rotational g tensors. Chemical Accuracy and Beyond, ICQC Sattelite meeting 2006-05-17 - 2006-05-19 2006. Ruud, Kenneth. Store muligheter i en liten verden: Nanovitenskap og nanoteknologi. Fagdag ved Tromsdalen vgs 2006-11-30 - 2006. Ruud, Kenneth. Kjemi på datamaskinen. Instituttkollokvium 2006-11-09 - 2006. Ruud, Kenneth. Nanovitenskap og nanoteknologi: Store muligheter i en liten verden. Nettverkskonferanse for næringshagene i Norge 2006-11-01 - 2006. Ruud, Kenneth. Kjemi uten søl: Matematisk modellering i kjemi. Populærvitenskaplig forelesningserie 2006-10-27 - 2006. Ruud, Kenneth. Store muligheter i en liten verden - om nanovitenskap. Årsfest for Universitetet i Tromsø 2005-09-23 - 2005. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Gruppeseminar, KTH 2005-10-13 - 2005-10-13 2005. Ruud, Kenneth. Computational challenges in calculating higher-order vibrational properties. International Conference on Computational Methods in Science and Engineering 2005-10-21 - 2005-10-26 2005. Ruud, Kenneth. HPC Challenges in Quantum Chemistry. SNIC interaction 2005-10-18 - 2005-10-19 2005. Ruud, Kenneth. The calculation of spectroscopic properties using the Dalton program. Instituttkollokvium 2005-09-07 - 2005. Ruud, Kenneth. The ab initio calculation of Raman optical activity. Workshop on Modeling Interactions in Biomolecules II 2005-09-05 - 2005-09-09 2005. Ruud, Kenneth. Toward the ab initio calculation of Raman Optical Activity Spectra. 10th International Conference on Circular Dichroism 2005-08-21 - 2005-08-25 2005. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties of large molecules. Instituttseminar 2005-08-03 - 2005-08-03 2005. Ruud, Kenneth. Continuum models for the study of magnetic properties of solvated molecules. Relativistic Effects in Heavy Elements (REHE) 2005 2005-04-06 - 2005-04-10 2005. Ruud, Kenneth. Toward chiroptical properties of large molecules: Some recent results. COST D26, Working group 0010-02 meeting 2005-04-01 - 2005-04-02 2005. Ruud, Kenneth. Toward chiroptical properties of large molecules. Gruppeseminar 2005-04-13 - 2005-04-13 2005. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Instituttkollokvium 2005-02-03 - 2005-02-03 2005. Ruud, Kenneth. Tungregning i forskningsfronten. Supercomputerdagen 2005 2005-09-30 - 2005. Ruud, K; Kerty, Emilia. En sykehistorie-riktig diagnose er stilt bare ved autopsy. Norsk Nevrologisk Forening 2004. Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Instituttkollokvium, Universitetet i Bonn, Tysland 2004-12-13 - 2004-12-13 2004. Ruud, Kenneth. Ab inito calculations of electric and magnetic properties: The Dalton Approach. Linear and Non-Linear Responses of Matter to Electromagnetic Field Perturbations 2004-10-16 - 2004-10-16 2004. Ruud, Kenneth. Can chiroptical properties be reliably calculated using theoretical methods?. 228th American Chemical Society Meeting 2004-08-22 - 2004-08-26 2004. Ruud, Kenneth. Relativistic effects on nuclear shielding tensors. Seminar in Theoretical Chemistry 2004-08-05 - 2004-08-05 2004. Ruud, Kenneth. Future HPC challenges in computational chemistry. NOTUR 2004 2004-06-09 - 2004-06-11 2004. Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Molecular Modelling Meeting 2004-05-26 - 2004-05-28 2004. Ruud, Kenneth. Solvent effects on magnetic properties using the polarizable continuum model. Response Theory and Molecular Properties 2004-05-05 - 2004-05-08 2004. Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Minisymposium on "Structure and properties of atoms and molecules: some recent developments" 2004-04-19 - 2004-04-19 2004. Thorvaldsen, Andreas Johan; Ruud, Kenneth. Another strategy for first order HF and KS-DFT density matrix optimization. Molecular Quantum Mechanics - the no-nonsense path to progress 2004-07-24 - 2004-07-29 2004. Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Solvent effects on zero-field splitting (ZFS) parameters from MCSCF-PCM calculations. Electron Correlation: Ab initio Methods and Density Functional Theory 2003-07-16 - 2003-07-19 2003. Ruud, Kenneth. Safe Sex, Dry Feet and Good Beer. Kjemi 2003 (9). ISSN 0023-1983.s 20 - . Ruud, Kenneth. DFT studies of electronic and vibrational optical activity. Workshop on Density Functional Theory, Present and Future Challenges 2003-04-23 - 2003-04-25 2003. Solheim, Harald; Ruud, Kenneth; Åstrand, Per-Olof. Atomic charges and dipole moments calculated from dipole and quadrupole gradients. A Coastal Voyage in Quantum Chemistry 2003-09-18 - 2003-09-21 2003. Ruud, Kenneth. Magnetic properties of closed-shell molecules. 1998.
Ruud, Kenneth. Hvordan lykkes som ung forsker på 2020-tallet?. Vintersamling, Akademiet for Yngre Forskere 2021-01-14 - 2021-01-14 2021. Kadek, Marius; Joosten, Marc; Repisky, Michal; Ruud, Kenneth. Four-component Dirac-Kohn-Sham theory for relativistic band structures of periodic systems based on Gaussian-type orbitals. XIIIth Workshop on Modern Methods in Quantum Chemistry 2020-03-01 - 2020-03-06 2020. Ruud, Kenneth; Brändas, Erkki J.. Preface. Advances in Quantum Chemistry 2020; Volum 81. ISSN 0065-3276.s xiii - xvii. Ghosh, Abhik; Ruud, Kenneth. Skandale i kjemitidsskrift: Et varsko for norsk akademia?. Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. Å lede mot åpen forskning. Digitaliseringskonferansen for høyere utdanning og forskning 2020 2020-05-26 - 2020-05-28 2020. Ruud, Kenneth. Oversikt over marin FoU-innsats i Norge: Et nordlig perspektiv. Strategimøte i Lakseklyngen 2020-09-29 - 2020-09-29 2020. Ruud, Kenneth. Åpen tilgang til forskning: Muligheter og utfordringer. Open access – muligheter og forskningsetiske utfordringer 2020-10-06 - 2020-10-06 2020. Ruud, Kenneth. Hvordan kan et universitet legge til rette for åpen forskning?. Open Science Week ved UiS og USN 2020-10-19 - 2020-10-19 2020. Ruud, Kenneth. Science in the digital age. All-Russian Festival of Science 2020-10-16 - 2020-10-16 2020. Ruud, Kenneth; Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Reine, Simen Sommerfelt. OpenRSP Version v.1.0.0. (https://github.com/openrsp/openrsp/releases/tag/v1.0.0) 2020. Ruud, Kenneth. Akademisk frihet og åpen publisering. (Fulltekst: https://khrono.no/akademisk-frihet-og-apen-publisering/476640 Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. En levende dialog om Plan S og rettigheter. (Fulltekst: https://khrono.no/en-levende-dialog-om-plan-s-og-rettigheter/458908 Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. Vi mener dette er akseptabel forskjellsbehandling. (Fulltekst: https://khrono.no/vi-mener-dette-er-akseptabel-forskjellsbehandling/464631 Khrono.no 2020. ISSN 1894-8995. Ruud, Kenneth. Research leadership: From PhD student to research group leader. ARCTOS PhD school seminar 2020-03-09 - 2020-03-09 2020. Ruud, Kenneth. Samspill mellom faglig ledelse og forskningsadministrativ ledelse: Forventninger og samarbeidsmuligheter. NARMAs lederseminar 2020-02-18 - 2020-02-19 2020. Ruud, Kenneth. From real-time method to (quasi)-energy derivatives: Theory and examples of molecular property calculations. Norwegian Russian Winter school in Tomsk "Experimental advanced fluorescence spectroscopy of organic molecules and biological systems" 2020-01-25 - 2020-01-27 2020. Ruud, Kenneth. Åpen forskning er rett løsning. (Fulltekst: https://www.aftenposten.no/meninger/debatt/i/zGjKKb/aapen-forskning-vi-maa-gaa-fra-hvorfor-til-hvordan-kenneth-ruud Aftenposten (morgenutg. : trykt utg.) 2020. ISSN 0804-3116.s 25 - 25. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. Full-potential relativistic four-component Dirac-Kohn-Sham method for periodic systems using Gaussian-type functions. Bulletin of the American Physical Society (Sammendrag: http://meetings.aps.org/Meeting/MAR19/Session/V18.5) 2019-03-23 - 2019-03-23 2019. Husebekk, Anne; Ruud, Kenneth; Eikeland, Sveinung; Gotaas, Geir. Arctic Advanced Education and Research. Palgrave Macmillan 2019 ISBN 978-3-030-20556-0.s 133 - 141.s doi: 10.1007/978-3-030-20557-7_9. Helgaker, Trygve; Ruud, Kenneth; Røsjø, Bjarne. Forskerne ved Hylleraas-senteret jakter på kjemiens hellige gral. 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. European Summerschool in Quantum Chemistry 2019-09-08 - 2019-09-21 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. 17th International Conference on Chiroptical Spectroscopy 2019-06-23 - 2019-06-27 2019. Eikås, Karolina Solheimslid; Ruud, Kenneth; Beerepoot, Maarten; Brandsdal, Bjørn Olav. Towards a computational protocol for VCD spectra of cyclic peptides. Chirality in Industry: Integrated Solutions for Vibrational Circular Dichroism 2019-04-23 - 2019-04-26 2019. Ruud, Kenneth. Computational optical spectroscopy. Norwegian-Russian two-week summer school seminar 2019-06-17 - 2019-06-29 2019. Ruud, Kenneth. Computational approaches to linear and nonlinear chiroptical spectroscopy. 17th International Conference on Chiroptical Spectroscopy 2019-06-23 - 2019-06-27 2019. Ruud, Kenneth. Arctic challenges and opportunities. Arctic seminar 2019-06-26 - 2019-06-26 2019. Ruud, Kenneth. Norwegian contributions to Arctic research. Arctic seminar 2019-06-26 - 2019-06-26 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. Grand Challenges for Theoretical Chemistry 2019-08-19 - 2019-08-21 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. Current Trends in Theoretical Chemistry VIII 2019-09-01 - 2019-09-05 2019. Ruud, Kenneth. Relativt god kjemi. Hylleraas-dagen 2019 2019-09-21 - 2019-09-21 2019. Ruud, Kenneth. Hvordan kan akademia styrke norsk oljevernberedskap?. Forum for framtidas oljevern 2019-09-17 - 2019-09-18 2019. Ruud, Kenneth. Calculating molecular properties: From real-time method to (quasi)-energy derivatives. 2nd Quantum International Frontiers 2019-11-18 - 2019-11-22 2019. Konecny, Lukas; Repisky, Michal; Ruud, Kenneth; Komorovsky, Stanislav. Relativistic four-component linear damped response time-dependent density functional theory. Hausmøte for NKS kvantekjemi og modellering 2019-10-08 - 2019-10-09 2019. Konecny, Lukas; Kadek, Marius; Alam, Mehboob; Ruud, Kenneth; Repisky, Michal. Calculation of Molecular Properties Using Relativistic Real-Time TDDFT. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019. Konecny, Lukas; Kadek, Marius; Ruud, Kenneth; Repisky, Michal. Relativistic real-time time-dependent density functional theory for molecular properties. APS March meeting 2019-03-04 - 2019-03-08 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron relativistic four-component Dirac-Kohn-Sham theory for solids using Gaussian-type functions. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019. Ruud, Kenneth. Nasjonal e-infrastruktur for forskning frem mot 2030. Digitaliseringskonferansen 2019-04-09 - 2019-04-10 2019. Ruud, Kenneth. Åpen vitenskap i et digitaliseringsperspektiv. Digitaliseringskonferansen 2019-04-09 - 2019-04-10 2019. Ruud, Kenneth. Towards the calculation of multidimensional vibrational spectra. American Physical Society March Meeting 2019-03-04 - 2019-03-08 2019. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. 59th Sanibel Symposium 2019-02-17 - 2019-02-22 2019. Ruud, Kenneth. Open Access, PlanS and DORA. EVERYTHING YOU NEED TO KNOW ABOUT PLAN S, ELSEVIER, AND THE TRANSITION TOWARDS OPEN SCIENCE 2019-01-09 - 2019-01-09 2019. Ruud, Kenneth; Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Reine, Simen Sommerfelt; Thorvaldsen, Andreas johan. OpenRSP Version v.1.0.0-alpha. (https://github.com/openrsp/openrsp/releases/tag/v1.0.0-alpha) 2018. Ruud, Kenneth. Relativistic effects in chemistry: Relatively unimportant?. Department Seminar University of Zurich 2018-12-18 - 2018-12-18 2018. Ruud, Kenneth. Relativistic calculations of molecular properties in the time and frequency domain. MEthods and ALgorithms in Quantum Chemistry 2018-12-13 - 2018-12-15 2018. Ruud, Kenneth. Implementing DORA at UiT The Arctic University of Norway. 13th Munin Conference 2018 on November 28–29 2018-11-28 - 2018-11-29 2018. Ruud, Kenneth. Implementing DORA. 2018. Ruud, Kenneth. Relativt god kjemi. Hylleraas-dagen 2018 2018-11-17 - 2018-11-17 2018. Ruud, Kenneth; Eldevik, Tor. The Nansen Legacy - An interdisciplinary research project on the climate and ecosystem of the Barents Sea – a gateway to a changing Arctic. Arctic science cooperation with Norway 2018-10-24 - 2018-10-24 2018. Ruud, Kenneth. The Nansen Legacy - An interdisciplinary research project on the climate and ecosystem of the Barents Sea – a gateway to a changing Arctic. Arctic Circle 2018 2018-10-19 - 2018-10-21 2018. Ruud, Kenneth. Optical Probe Sensors at Biological Environments OPS@BE. 25th Anniversary of collaboration between UiT The Arctic University of Norway and Russia 2018-09-29 - 2018-09-29 2018. Ruud, Kenneth. Towards gender balance in research (at UiT). Gender Equality Workshop 2018 2018-09-24 - 2018-09-25 2018. Ruud, Kenneth. Relativistic Real-time Calculations of Molecular Properties. A Voyage from Nonlinear Optics to Biophotonics joining Theory and Experiment 2018-09-21 - 2018-09-22 2018. Ruud, Kenneth. Det norske tellekantsystemet: — Står vi i fare for å falle utfor kanten?. (Fulltekst: https://khrono.no/tellekant-uit/det-norske-tellekantsystemet%E2%80%94star-vi-i-fare-for-a-falle-utfor-kanten/222013 Khrono.no 2018. ISSN 1894-8995. Ruud, Kenneth. Open Access som beskyttelse mot røvertidsskrift. (Fulltekst: https://khrono.no/uit-kenneth-ruud-oa/open-access-som-beskyttelse-mot-rovertidsskrift/236563 Khrono.no 2018. ISSN 1894-8995. Ringholm, Magnus; Ruud, Kenneth. 2D-IR spectroscopy with Wilson and OpenRSP. Foredrag under faglig besøk ved KTH (Stockholm) 2018-03-27 - 2018-03-27 2018. Ruud, Kenneth; Paul, Lopa; Chakrabarti, Swapan. Phosphorescence and triplet lasing in organic and organometallic systems. 4th Polish-Taiwanese Conference: From Molecular Modeling to Nano- and Biotechnology 2018-08-29 - 2018-08-31 2018. Ruud, Kenneth. Reliable modeling of multiphoton absorption cross sections in complex (molecular) systems. 11th International Conference on Nanophotonics, ICNP2018 2018-07-02 - 2018-07-06 2018. Ruud, Kenneth. Modeling nonlinear and multidimensional spectroscopies in complex systems. City of Wroclaw Visiting Professor Guest Lecture 2018-06-27 - 2018-06-27 2018. Ruud, Kenneth. Relativistic effects in chemistry: Relatively unimportant?. City of Wroclaw Visiting Professor Guest Lecture 2018-06-26 - 2018-06-26 2018. Ruud, Kenneth. Going big and complex. HPC meets materials 2018-05-25 - 2018-05-25 2018. Ruud, Kenneth. Vibrational optical activity and absolute configuration of natural products. Digibiotics kick-off meeting 2018-01-24 - 2018-01-25 2018. Ruud, Kenneth. Novel Chiroptical Spectroscopies. 255th American Chemical Society Meeting 2018-03-18 - 2018-03-22 2018. Helgaker, Trygve; Ruud, Kenneth. Langsiktig fra Forskningsrådet. (Fulltekst: https://khrono.no/moser-fremragende-helgaker/langsiktig-fra-forskningsradet/209148 Khrono.no 2018. ISSN 1894-8995. Ruud, Kenneth; Chakrabarti, Swapan; Paul, Lopa. Anomalous phosphorescence in organic and organometallic systems. Molecules in Extreme Environments 2018-01-15 - 2018-01-17 2018. Reigstad, Marit; Ruud, Kenneth; Huse, Geir; Stenseth, Nils Christian. «Landslag» skal forske i Arktis. (Fulltekst: http://web.retriever-info.com/go/?u=http%3A%2F%2Fweb.retriever-info.com%2Fservices%2Fmonitor%2FdisplayPDF&a=61679&d=0550122017051368e60f6bce10bc3f02264a571d402611&sa=2016516&x=aac69dabe3362d6d37f30654 2017. Helgaker, Trygve; Ruud, Kenneth. 10 år med god kjemi. (Fulltekst: http://nordnorskdebatt.no/article/10-ar-god-kjemi Nordlys 2017. ISSN 0805-5440. Flå, Tor; Frediani, Luca; Ruud, Kenneth. Mer enn matematiske krusninger. (Fulltekst: http://nordnorskdebatt.no/article/mer-enn-matematiske-krusninger Nordlys 2017. ISSN 0805-5440. Ruud, Kenneth. Properties, relativity and everything. CTCC Closing meeting 2017-10-02 - 2017-10-04 2017. Ruud, Kenneth. Kjønnsbalanse i akademia: Litt om status ved UiT. Kvikklunsjen om kjønn i akademia 2017-10-18 - 2017-10-18 2017. Ruud, Kenneth. Hvor går norsk PhD utdanning? Et personlig utvalg problemstillinger. Årlig konferanse for doktorer og professorer innen sykepleie 2017-10-18 - 2017-10-19 2017. Ruud, Kenneth. Institutional transformation towards Open Science: Experiences from UiT The Arctic University of Norway. 12th Munin conference on scholarly publishing and communication 2017-11-22 - 2017-11-23 2017. Ruud, Kenneth. Modeling nonlinear and multidimensional spectroscopies in complex systems. Advances in computational modelling: from isolated molecules to soft matter 2017-11-29 - 2017-12-02 2017. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. 4-component relativistic calculations with periodic boundary conditions. Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory 2017-12-08 - 2017-12-09 2017. Ringholm, Magnus; Ruud, Kenneth. Simulating vibrational spectroscopic experiments with Wilson. SciX 2017 2017-10-08 - 2017-10-13 2017. Ruud, Kenneth. The Nansen Legacy: Scientific exploration and sustainable management beyond the ice edge. China-Nordic Arctic Research Symposium 2017-05-24 - 2017-05-26 2017. Ruud, Kenneth. Hvor går norsk PhD utdanning? Et personlig utvalg problemstillinger. Nasjonal forskerutdanningskonferanse 2017-06-07 - 2017-06-08 2017. Ruud, Kenneth. The Nansen Legacy. Møte for nordiske NHO-ledere 2017-09-01 - 2017-09-01 2017. Ruud, Kenneth. Relativistic effects in chemistry: Relatively unimportant?. Brown-Williamson Lecture 2017-03-31 - 2017-03-31 2017. Ruud, Kenneth. Qualitative insight into multiphoton absorption cross sections. XIII International Conference on pulsed lasers and laser applications - AMPL-2017 2017-09-10 - 2017-09-15 2017. Ruud, Kenneth. Modeling one- and multiphoton absorption in biomolecular systems. Modeling Interactions in Biomolecules VIII 2017-09-03 - 2017-09-08 2017. Kadek, Marius; Repisky, Michal; Ruud, Kenneth. 4-component relativistic calculations with periodic boundary conditions. The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists 2017-08-27 - 2017-09-01 2017. Ruud, Kenneth. Higher-Order Response Functions: Qualitative Insight and Medium Effects. Molecular Properties and Computational Spectroscopy 2017-04-10 - 2017-04-12 2017. Ringholm, Magnus; Ruud, Kenneth. Simulating vibrational wave-mixing experiments with Wilson. 9th International Conference on ADVANCED VIBRATIONAL SPECTROSCOPY 2017-06-11 - 2017-06-16 2017. Ruud, Kenneth. Multidimensional vibrational spectra from first principles. 9th International Conference on Advanced Vibrational Spectroscopy 2017-06-11 - 2017-06-16 2017. Ruud, Kenneth. Challenges in predicting molecular properties from ab initio calculations. 2017 eSSENCE meeting on “Multiscale modelling of materials and molecules” 2017-06-12 - 2017-06-14 2017. Reigstad, Marit; Ruud, Kenneth; Geir, Huse; Stenseth, Nils Christian. "Landslag" skal forske i Arktis. Nordlys 2017. ISSN 0805-5440. Ruud, Kenneth. Multiphoton and multidimensional spectroscopy. Xth International Conference of Computational Physics 2017-01-17 - 2017-01-20 2017. Friese, Daniel Henrik; Ruud, Kenneth; Hättig, Christof; Rizzo, Antonio. Multiphoton Circular Dichroism: Challenges for theory, method development and applications. Symposium für Theoretische Chemie 2016 2016-09-26 - 2016-09-29 2016. Ruud, Kenneth. Likestillingsarbeidet ved UiT. Åpningskonferanse, opprykksprosjektet ved UiT 2016-10-28 - 2016-10-28 2016. Ruud, Kenneth. Basis-set error-free calculations of energies and magnetic properties. Magical Mystery Tour of Electron Correlation 2016-10-24 - 2016-10-26 2016. Ruud, Kenneth. Analytic calculations of anharmonic and multidimensional vibrational spectra. 6th International Conference on Perspectives in Vibrational Spectroscopy 2016-11-05 - 2016-11-08 2016. Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan. General Vibrational Spectroscopies with Wilson. Magical Mystery Tour of Electron Correlation 2016-10-24 - 2016-10-26 2016. Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan. General Vibrational Spectroscopies with Wilson. CMDS 2016 2016-06-29 - 2016-07-01 2016. Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Ruud, Kenneth; Thorvaldsen, Andreas johan; Cornaton, Yann; Louant, Orian; Reine, Simen Sommerfelt. Analytic high-order properties with OpenRSP. COST MOLIM WG3 Meeting 2016 2016-03-21 - 2016-03-22 2016. Ruud, Kenneth. Multiphoton absorption and vibrational chiroptical spectroscopy in complex environments. Symposium Theoretischer Chemie 2016-09-26 - 2016-09-29 2016. Ruud, Kenneth. Basis-set error-free calculations of energies and magnetic properties. Swedish Theoretical Chemistry 2016 2016-08-17 - 2016-08-19 2016. Ruud, Kenneth. Two short stories on relativistic effects in chemistry. IXth Conference of the International Society for Theoretical Chemical Physics 2016-07-17 - 2016-07-22 2016. Ruud, Kenneth. PhD: Rekruttere − og sende videre. Institusjonenes doble oppdrag. Nasjonal forskerutdanningskonferanse 2016-06-06 - 2016-06-06 2016. Ruud, Kenneth. Pure and zero-point vibrational corrections to molecular properties. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Vibrational spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Advanced aspects of vibrational spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. UV/VIS Spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Multiphoton spectroscopy. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Magnetizabilities and rotational g tensor. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Electron-spin related properties and EPR. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Birefringences: Theory and examples. Molecular Response Properties Winter School 2016 2016-03-14 - 2016-03-18 2016. Ruud, Kenneth. Basis-set error-free HF and DFT calculations of magnetic properties. IXth workshop on modern methods in quantum chemistry 2016-02-21 - 2016-02-27 2016. Ruud, Kenneth. Kutt er ei det beste. Forskerforum 2016 (2). ISSN 0800-1715.s 40 - 40. Ruud, Kenneth; Beerepoot, Maarten. Verdens minste billøp. Nordlys 2016. ISSN 0805-5440.s 3 - 3. Ruud, Kenneth; Buverud, Anna Kolberg; Gran, Tone; Hillesøy, Per Gunnar; Lenschow, Harald; Maurseth, Anne Beate; Sundnes, Jonny Roar; Granaas, Rakel Christina. Fellesgrader på ph.d.-nivå - Introduksjon og veileder. (Fulltekst: https://www.uhr.no/_f/p1/i418e178f-02df-435e-972a-f25faee9669f/veileder_fellesgrader_270116.pdf 2015. Ruud, Kenneth. Linear and nonlinear responses to external fields from real-time two- and four-component TD-DFT calculations. New Frontiers in Relativistic Quantum Chemistry 2015-06-13 - 2015-06-16 2015. Ruud, Kenneth. Partnership for Advanced Computing in Europe (PRACE): Meeting the HPC needs of Europe. CHITEL 2015 2015-07-26 - 2015-07-31 2015. Ruud, Kenneth. New advances and open questions in modeling multidimensional spectroscopy. Open Shells, Open Questions 2015-08-24 - 2015-08-26 2015. Ruud, Kenneth. Ab initio calculations of multiphoton processes. AMPL 2015 2015-09-13 - 2015-09-18 2015. Ruud, Kenneth. Building successful international (research) teams. SAF21 2015-10-15 - 2015-10-15 2015. Ruud, Kenneth. Molecular Spectroscopy: Where theory meets experiment. Forelesning for studenter ved Masaryk Universitet 2015-11-19 - 2015-11-19 2015. Ruud, Kenneth. Hva skal til for å skape fremragende forskning i Norge?. VISTA 30-årsjubileum 2015-11-30 - 2015-11-30 2015. Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth. General vibrational spectroscopies with Wilson. ICAVS 8 2015-07-12 - 2015-07-17 2015. Friese, Daniel Henrik; Ruud, Kenneth; Ringholm, Magnus. High-order non-linear optical and chiroptical property calculations using an open-ended recursive approach. Symposium for Theoretical Chemistry 2015-09-20 - 2015-09-24 2015. Mennucci, Benedetta; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin Helen; Helgaker, Trygve; Ruud, Kenneth. FemEx—Female Excellence in Theoretical and Computational Chemistry. International Journal of Quantum Chemistry 2015. ISSN 0020-7608.s doi: 10.1002/qua.24961. Thorvaldsen, Steinar; Ruud, Kenneth; Luu, Jane. Nytt UiT-teleskop kan vise tusenvis av stjerner på nært hold. Om åpningen av Mohn-teleskopet. 2015. Ruud, Kenneth. The Nordic and European case for HPC. SNIC User Group Meeting 2014 2014-12-15 - 2014. Ruud, Kenneth. Multiphoton spectroscopy, (high-harmonic generation) and anharmonic vibrational effects. CODECS Final Workshop 2014-10-25 - 2014. Ruud, Kenneth. Four-component relativistic calculations in the time domain. 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-23 - 2014. Ruud, Kenneth. Analytic calculations of anharmonic effects in vibrational spectroscopy. European Seminar on Computational Methods in Quantum Chemistry 2014-09-11 - 2014. Ruud, Kenneth. Multiphoton absorption. Future of Electronic Structure Theory: Pushing Our Understanding and Limits 2014-09-08 - 2014. Ruud, Kenneth. Magnetic properties of interacting molecules: A failure of polarizable models?. Solutions for Solvation: International Workshop 2014-08-01 - 2014. Ruud, Kenneth. Analytic DFT calculations of anharmonic force constants. 5th International Conference on Perspectives in Vibrational Spectroscopy 2014-07-11 - 2014. Ruud, Kenneth. Recursive calculation of high-order molecular properties. Gjesteforelesning Indian Association for the Cultivation of Science 2014-07-04 - 2014. Ruud, Kenneth. Molecular Spectroscopy: Where theory meets experiment. Gjesteforelesning Universitetet i Kolkata 2014-07-07 - 2014. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye Beyene; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding. Promoting Female Excellence in Theoretical and Computational Chemistry II (FemEx-Oslo) 2014-06-13 - 2014-06-16 2014. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye Beyene; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding. 10th Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014) 2014-10-05 - 2014-10-10 2014. Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye Beyene; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding. REHE-2014, 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-20 - 2014-09-24 2014. Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Ruud, Kenneth; Malkin, Vladimir G.; Malkina, Olga L.. Relativistic calculations of indirect nuclear spin-spin coupling using hybrid functionals. NKS Landsmøte i kjemi 2014-10-29 - 2014-10-30 2014. Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Ruud, Kenneth; Malkin, Vladimir G.; Malkina, Olga L.. Relativistic four-component calculations of indirect nuclear spin-spin coupling using hybrid functionals. 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-20 - 2014-09-24 2014. Friese, Daniel Henrik; Beerepoot, Maarten; Ringholm, Magnus; Ruud, Kenneth. Multiphoton absorption calculation using an open-ended response theory approach - Going beyond one- and two-photon absorption. Symposium for Theoretical Chemistry 2014 2014-09-14 - 2014-09-18 2014. Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. The recursive open-ended response code OpenRSP. STC 2014 2014-09-14 - 2014-09-18 2014. Ofstad, Benedicte; Åstrand, Per-Olof; Ringholm, Magnus; Ruud, Kenneth. Vibrational motion in molecules. 2014. Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. A general, recursive open-ended response code: High-order SCF level properties. VALCA 2013 2013-06-09 - 2013-06-12 2013. Ringholm, Magnus; Ruud, Kenneth. Recursive calculation of high-order molecular response properties. 2013 ISBN 978-82-8236-114-9. Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Four-component relativistic calculations of NMR shielding tensors for paramagnetic systems. DiracMeeting 2013 2013-07-04 - 2013. Komorovsky, Stanislav; Malkin, Elena; Repisky, Michal; Ruud, Kenneth. Redefining the absolute shielding scale of (not only) tin compounds. CTCC meeting 2013-01-31 - 2013. Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Four-component relativistic calculations of NMR shielding tensors for paramagnetic systems. EURACT NMR workshop 2013-07-18 - 2013. Brandsdal, Bjørn Olav; Ruud, Kenneth; Beerepoot, Maarten; Steindal, Arnfinn Hykkerud. Datamodellering i kjemi og biologi, en selvmotsigelse?. Nordlys 2013. ISSN 0805-5440.s 43 - 43. Beerepoot, Maarten; Brandsdal, Bjørn Olav; Ruud, Kenneth; Steindal, Arnfinn Hykkerud. Nobelprisen i kjemi 2013. Kjemi 2013; Volum 73 (6). ISSN 0023-1983.s 18 - 20. Chamberlin, Adam; Bast, Radovan; Ruud, Kenneth. Identifying relativistic effects on (hyper)polarizabilities. Abstract of Papers of the American Chemical Society 2012; Volum 244. ISSN 0065-7727. Tellgren, Erik; Helgaker, Trygve; Ruud, Kenneth; Soncini, Alessandro. Quantum-chemical method development for extended and magnetic systems. (Omtale: http://www.mn.uio.no/forskning/aktuelt/arrangementer/disputaser/2005-2010/tellgren-erik.html) 2009. Chakrabarti, S; Ruud, Kenneth. Intermolecular Interaction-Controlled Tuning of the Two-Photon Absorption of Fullerene Bound in a Buckycatcher. Journal of Physical Chemistry A 2009; Volum 113 (19). ISSN 1089-5639.s 5485 - 5488.s doi: 10.1021/jp902071j. Ruud, Kenneth. Teoretisk kjemi: En selvmotsigelse?. Academia Borealis medlemsmøte 2008-05-29 - 2008-05-29 2008. Solheim, Harald; Ruud, Kenneth; Coriani, Sonia; Norman, Patrick. The A and B terms of magnetic circular dichroism revisited. Journal of Physical Chemistry A 2008; Volum 112 (40). ISSN 1089-5639.s 9615 - 9618.s doi: 10.1021/jp803135x. Ruud, Kenneth. Back to the future: Designing Quantum Chemistry Programs by divide and conquer. COST D37 meeting 2008-12-18 - 2008-12-20 2008. Ruud, Kenneth. Fremragende publisering og formidling. Muninseminaret 2008 2008-11-28 - 2008-11-28 2008. Ruud, Kenneth. Analytical calculations of nonlinear chiroptical properties and birefringences. South-eastern regional meeting of the American Chemical Society 2008-11-12 - 2008-11-15 2008. Ruud, Kenneth; Thorvaldsen, Andreas johan; Bast, Radovan. A General Response Theory Framework for Calculating Higher-Order Molecular Properties. Conference of the World Association of Theoretical and Computational Chemistry 2008-09-15 - 2008-09-19 2008. Ruud, Kenneth. Analytical calculations of ROA spectra for Hartree-Fock and DFT. First International Conference on Vibrational Optical Activity 2008-08-26 - 2008-08-29 2008. Ruud, Kenneth. Molecular properties: Where theory and experiment play together. Opening of the Amsterdam Centre for Multiscale Modeling 2008-06-26 - 2008-06-26 2008. Ruud, Kenneth. Calculating higher-order mixed electric, magnetic and vibrational properties. Young Chemist's Workshop on "Modeling of complex systems" 2008-05-01 - 2008-05-04 2008. Ruud, Kenneth. Calculating higher-order mixed electric, magnetic and vibrational properties. Group seminar 2008-04-24 - 2008-04-24 2008. Ruud, Kenneth. Theoretical calculations of Raman spectroscopy coming of age. Group seminar 2008-04-03 - 2008-04-03 2008. Ruud, Kenneth. Introduksjon til Dr. Atomic av John Adams . Visning av operaen Dr.Atomic 2008-11-09 - 2008-11-09 2008. Ruud, Kenneth. Kjemi på datamaskinen. Bladet Tromsø 2007.s 16 - 17. Ruud, Kenneth. Solvent effects on molecular properties. NANOQUANT avslutningsmøte 2007-03-16 - 2007. Ruud, Kenneth. Solvent effects on chiroptical properties. American Chemical Society meeting Spring 2007 2007-03-25 - 2007. Ruud, Kenneth. A new future for finite-element methods? Multiresolution analysis in quantum chemistry. Gjesteforelesning, Universitetet i Trieste 2007-05-09 - 2007. Ruud, Kenneth. Theoretical modelling of nonlinear optical properties. Nanomatkonferansen 2007 2007-06-06 - 2007. Ruud, Kenneth. Modelling of nonlinear optical properties of solvated molecules. Gjesteforelesning, Universitetet i Perugia 2007-07-04 - 2007. Ruud, Kenneth. A general scheme for higher-order SCF responses. Workshop i forbindelse med dotorgradsdisputas 2007-10-01 - 2007. Ruud, Kenneth. A general scheme for higher-order SCF responses. Quantum Systems in Physics and Chemistry XII 2007-09-03 - 2007. Ruud, Kenneth. Accurate calculations of magnetizabilities and rotational g tensors. Norwegian Theoretical Chemistry: From molecules to nanostructures 2007-11-08 - 2007-11-11 2007. Ruud, Kenneth. Network of National CoEs in Computational Chemistry. NordForsk kick-off meeting 2007-10-10 - 2007-10-11 2007. Ruud, Kenneth. Vibrational corrections to molecular properties. Gjesteforelesning, Beijing University 2007-11-15 - 2007-11-15 2007. Ruud, Kenneth. A general scheme for higher-order SCF responses. China-Nordic Workshop on Quantum Chemistry 2007-11-19 - 2007-11-23 2007. Ruud, Kenneth. eScience trends and infrastructure in Norway, computational chemistry in Norway and the Nordic countries. KTH Scientic Computing 2007-12-06 - 2007. Ruud, Kenneth. Magnetic properties and vibrational corrections. China-Nordic Workshop on Quantum Chemistry 2007-11-19 - 2007-11-23 2007. Ruud, Kenneth. stallo.uit.no: Enabling quantum leaps in quantum chemistry. High-Performance Computing in the Arctic 07 (HPCiA07) 2007-12-10 - 2007. Ruud, Kenneth. A new future for finite-element methods in Quantum Chemistry?. Norwegian eScience Meeting 2007 2007-02-28 - 2007. Ruud, Kenneth. Kjemi uten søl. Matematisk modellering i kjemi. Møte for kjemiolympiadekandidater 2007-03-01 - 2007. Ruud, Kenneth. Velkommen til kjemi! Kjemistudier ved UiT. Møte for kjemiolympiadekandidater 2007-03-01 - 2007. Ruud, Kenneth. Fremtidens forskningsmetode: tungregning. Tungregnedagen ved UiT 2007-09-16 - 2007. Ruud, Kenneth. Nanovitenskap og nanoteknologi: Muligheter for helsevesenet. UNN Ledermøte 2007-09-28 - 2007. Manninen, Pekka; Ruud, Kenneth; Lantto, Pertu; Vaara, Juha. Erratum: "Leading-order relativistic effects on nuclear magnetic resonance shielding tensors" [J.Chem.Phys. 122, 114107 (2005)]. Journal of Chemical Physics 2006; Volum 124. ISSN 0021-9606. Ruud, Kenneth. Computational Chemistry in Norway. META 2006 (2). ISSN 1890-1956.s 10 - 12. Ruud, Kenneth. Solvent effects on electric and magnetic properties. C4 Seminar serie 2006-12-14 - 2006. Ruud, Kenneth. Multiresolution Analysis in Quantum Chemistry. Gruppeseminar 2006-12-07 - 2006. Ruud, Kenneth. The Dalton program system. COST D37 workshop 2006-12-01 - 2006-12-02 2006. Ruud, Kenneth. Dalton: Functionality and interfaces. COST D37-DeciQ møte 2006-12-01 - 2006-12-02 2006. Ruud, Kenneth. Why are ab initio calculations of ROA spectra so expensive?. Instituttkollokvium 2006-10-09 - 2006. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Gruppeseminar, University of Waterloo 2006-05-03 - 2006-05-03 2006. Ruud, Kenneth. HPC Challenges in Quantum Chemistry. NOTUR2006 2006-05-11 - 2006-05-12 2006. Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. ICQC 2006 2006-05-21 - 2006-05-26 2006. Gauss, Jurgen; Kallay, Mihaly; Ruud, Kenneth. Gauge-origin independent CC calculations of magnetizabilities and rotational g tensors. Chemical Accuracy and Beyond, ICQC Sattelite meeting 2006-05-17 - 2006-05-19 2006. Ruud, Kenneth. Store muligheter i en liten verden: Nanovitenskap og nanoteknologi. Fagdag ved Tromsdalen vgs 2006-11-30 - 2006. Ruud, Kenneth. Kjemi på datamaskinen. Instituttkollokvium 2006-11-09 - 2006. Ruud, Kenneth. Nanovitenskap og nanoteknologi: Store muligheter i en liten verden. Nettverkskonferanse for næringshagene i Norge 2006-11-01 - 2006. Ruud, Kenneth. Kjemi uten søl: Matematisk modellering i kjemi. Populærvitenskaplig forelesningserie 2006-10-27 - 2006. Ruud, Kenneth. Store muligheter i en liten verden - om nanovitenskap. Årsfest for Universitetet i Tromsø 2005-09-23 - 2005. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Gruppeseminar, KTH 2005-10-13 - 2005-10-13 2005. Ruud, Kenneth. Computational challenges in calculating higher-order vibrational properties. International Conference on Computational Methods in Science and Engineering 2005-10-21 - 2005-10-26 2005. Ruud, Kenneth. HPC Challenges in Quantum Chemistry. SNIC interaction 2005-10-18 - 2005-10-19 2005. Ruud, Kenneth. The calculation of spectroscopic properties using the Dalton program. Instituttkollokvium 2005-09-07 - 2005. Ruud, Kenneth. The ab initio calculation of Raman optical activity. Workshop on Modeling Interactions in Biomolecules II 2005-09-05 - 2005-09-09 2005. Ruud, Kenneth. Toward the ab initio calculation of Raman Optical Activity Spectra. 10th International Conference on Circular Dichroism 2005-08-21 - 2005-08-25 2005. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties of large molecules. Instituttseminar 2005-08-03 - 2005-08-03 2005. Ruud, Kenneth. Continuum models for the study of magnetic properties of solvated molecules. Relativistic Effects in Heavy Elements (REHE) 2005 2005-04-06 - 2005-04-10 2005. Ruud, Kenneth. Toward chiroptical properties of large molecules: Some recent results. COST D26, Working group 0010-02 meeting 2005-04-01 - 2005-04-02 2005. Ruud, Kenneth. Toward chiroptical properties of large molecules. Gruppeseminar 2005-04-13 - 2005-04-13 2005. Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Instituttkollokvium 2005-02-03 - 2005-02-03 2005. Ruud, Kenneth. Tungregning i forskningsfronten. Supercomputerdagen 2005 2005-09-30 - 2005. Ruud, K; Kerty, Emilia. En sykehistorie-riktig diagnose er stilt bare ved autopsy. Norsk Nevrologisk Forening 2004. Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Instituttkollokvium, Universitetet i Bonn, Tysland 2004-12-13 - 2004-12-13 2004. Ruud, Kenneth. Ab inito calculations of electric and magnetic properties: The Dalton Approach. Linear and Non-Linear Responses of Matter to Electromagnetic Field Perturbations 2004-10-16 - 2004-10-16 2004. Ruud, Kenneth. Can chiroptical properties be reliably calculated using theoretical methods?. 228th American Chemical Society Meeting 2004-08-22 - 2004-08-26 2004. Ruud, Kenneth. Relativistic effects on nuclear shielding tensors. Seminar in Theoretical Chemistry 2004-08-05 - 2004-08-05 2004. Ruud, Kenneth. Future HPC challenges in computational chemistry. NOTUR 2004 2004-06-09 - 2004-06-11 2004. Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Molecular Modelling Meeting 2004-05-26 - 2004-05-28 2004. Ruud, Kenneth. Solvent effects on magnetic properties using the polarizable continuum model. Response Theory and Molecular Properties 2004-05-05 - 2004-05-08 2004. Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Minisymposium on "Structure and properties of atoms and molecules: some recent developments" 2004-04-19 - 2004-04-19 2004. Thorvaldsen, Andreas Johan; Ruud, Kenneth. Another strategy for first order HF and KS-DFT density matrix optimization. Molecular Quantum Mechanics - the no-nonsense path to progress 2004-07-24 - 2004-07-29 2004. Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Solvent effects on zero-field splitting (ZFS) parameters from MCSCF-PCM calculations. Electron Correlation: Ab initio Methods and Density Functional Theory 2003-07-16 - 2003-07-19 2003. Ruud, Kenneth. Safe Sex, Dry Feet and Good Beer. Kjemi 2003 (9). ISSN 0023-1983.s 20 - . Ruud, Kenneth. DFT studies of electronic and vibrational optical activity. Workshop on Density Functional Theory, Present and Future Challenges 2003-04-23 - 2003-04-25 2003. Solheim, Harald; Ruud, Kenneth; Åstrand, Per-Olof. Atomic charges and dipole moments calculated from dipole and quadrupole gradients. A Coastal Voyage in Quantum Chemistry 2003-09-18 - 2003-09-21 2003. Ruud, Kenneth. Magnetic properties of closed-shell molecules. 1998.
