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Ruud, Kenneth

Teoretisk kjemi, Senter for Teoretisk og Beregningsbasert Kjemi (CTCC)
Universitetsledelsen

Stillingsbeskrivelse:

Prorektor for forskning og utvikling

Professor i teoretisk kjemi




Forskningsinteresser

Kenneth Ruud is a professor of theoretical chemistry at the University of Tromsø - The Arctic University of Norway (Norway). He received his Ph.D. degree from the University of Oslo in 1998 (supervisor Trygve Helgaker) and spent 2 years as a postdoctoral fellow in San Diego with Peter Taylor before moving to Tromsø in 2001. His main research interests are development of new ab initio methods for the study of molecular properties for non-relativistic and relativistic methods. Additional interests include solvent effects (continuum and QM/MM methods) and vibronic and relativistic effects. He is an author of several quantum chemistry program: Dalton, Dirac, ReSpect, and OpenRSP.

Research ID: E-5947-2010

ORCID: http://orcid.org/0000-0003-1006-8482

Publon: https://publons.com/a/462588/

Forskningsprosjekter

  • New dimensions in theoretical multiphoton spectroscopy, Research Council of Norway 2016-2019, 0.96 Mill. Euros
  • Relativistic two- and four-component density functional theory with periodic boundary conditions, Research Council of Norway 2012-2016, 0.73 Mill. Euros
  • ERC Starting Grant, 2011 for the project SURFSPEC: ``Theoretical multiphoton spectroscopy for understanding surfaces and interfaces'', 1.5 MEuros
  • Analytic calculations of higher-order molecular properties, Research Council of Norway 2009--2015, 0.85 Mill. Euros
  • Project manager of a Norwegian Center of Excellence (Center of Theoretical and Computational Chemistry) established by the Research Council of Norway 2007--2017, annual grant of 1.25 Mill. Euros.
  • Vibronic contributions to higher-order molecular properties, Research Council of Norway 2007-2011, 0.67 Mill. Euros
  • Coordinator of a strategic University Program in Quantum Chemistry 2003--2007. 1.2 Mill Euros, 4 partners. Awarded by the Norwegian Research Council.
  • Partner in a Norwegian theoretical chemistry initiative in Nanomaterial modelling, 1.2 Mill Euros, 2003--2006. 5 partners. Awarded by the Norwegian Research Council.
  • Member of the EU Research-Training Network ``Nanoquant'', 1.9 Mill.Euros 2004--2007. Awarded by the European Commision
  • Partner in a Nordic Research Network ``QMMM'', 100 kEuros. 2004--2006. 6 partners. Awarded by the Nordic Research Academy.

Biografiske data

Født i 1969 i Fredrikstad, Norge.

Cand.scient. (1993) og dr.philos. (1998) ved Universitetet i Oslo, med prof. Trygve Helgaker som veileder.

Postdoc 1999-2000 ved University of California, San Diego/ San Diego Supercomputer Centre med Prof. Peter R. Taylor.

2001-2002, postdoc ved Universitetet i Tromsø

2002-, prof. i teoretisk kjemi ved UiT.

2005-2007 instituttleder ved institutt for kjemi, UiT.

2007-2013 leder av et senter for fremragende forskning: Senter for teoretisk og beregningsbasert kjemi (CTCC)

2013 prorektor for forskning og utvikling, UiT

Verv

- Medlem av Divisjonsstyret for vitenskap, Norges Forskningsråd

- President i Norsk Kjemisk Selskap

- Leder i NOS-N (Nordisk samarbeidsnemnd for naturvitenskap)

- Leder av Scientific Steering Committee i PRACE (Partnership for Advanced Computing in Europe)

- Medlem av Board of Directors i PRACE

- Medlem av Scientific Review Group i European Science Foundation

- Medlem av Management Committee for COST-D37 (CODECS)

- Varamedlem i styret i Senter for Grunnforskning ved det Norske Videnskapsakademi

Priser og utmerkelser

- Innvalgt medlem i Det Norske Videnskapsakademi (2012)

- ERC Starting Grant (2011)

- Dirac Medal of the World Association of Theoretical and Computational Chemists (WATOC) (2008)

- Leder for CTCC, et norsk Senter for Fremragende Forskning, etablert av Norges Forskningsråd (2007)

- Universitetet i Tromsø sin pris til yngre forskere (2005)

- Yngre Fremragende Forskerstipend fra Norges Forskningsråd (2004)

- A/S Norsk Varekrigsforsikringsfonds pris til yngre forskere (1996)

- Hafslund/Nycomeds pris til unge forskere (1993)

Forskerprofil i Cristin

Klikk her

Arbeider i CRIStin


  • Friese, Daniel Henrik; Ruud, Kenneth. Three-photon circular dichroism: towards a generalization of chiroptical non-linear light absorption. Physical Chemistry Chemical Physics 2016; Volum 18. ISSN 1463-9084.s 4174 - 4184.s doi: 10.1039/C5CP07102J.

  • 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). Journal of Physical Chemistry A 2016; Volum 120 (5). ISSN 1089-5639.s 724 - 736.s doi: 10.1021/acs.jpca.5b12168.

  • 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.

  • 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) Physical Chemistry, Chemical Physics - PCCP 2015; Volum 17 (35). ISSN 1463-9076.s 22566 - 22570.s doi: 10.1039/c5cp03712c.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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; 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.

  • 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.

  • 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.

  • 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) Physical Chemistry, Chemical Physics - PCCP 2015; Volum 17 (38). ISSN 1463-9076.s 24944 - 24955.s doi: 10.1039/c5cp04214c.

  • 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.

  • 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) Molecular Physics 2014; Volum 112 (5-6). ISSN 0026-8976.s 818 - 835.s doi: 10.1080/00268976.2013.869362.

  • 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.

  • 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.

  • 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.

  • 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.

  • Beerepoot, Maarten; Friese, Daniel Henrik; Ruud, Kenneth. Intermolecular charge transfer enhances two-photon absorption in yellow fluorescent protein. (fulltekst) Physical Chemistry, Chemical Physics - PCCP 2014; Volum 16 (13). ISSN 1463-9076.s 5958 - 5964.s doi: 10.1039/c3cp55205e.

  • 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.

  • 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.

  • 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; 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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. Journal of Physical Chemistry Letters 2013; Volum 4 (3). ISSN 1948-7185.s 459 - 463.s doi: 10.1021/jz302146m.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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. Journal of Physical Chemistry Letters 2012; Volum 3 (8). ISSN 1948-7185.s 961 - 966.s doi: 10.1021/jz300198y.

  • 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.

  • 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.

  • Jaszunski, Michal; Rizzo, Antonio; Ruud, Kenneth. Molecular electric, magnetic and optical properties. (fulltekst) Springer Science+Business Media B.V. 2012 ISBN 978-94-007-0711-5.s 363 - 441.

  • 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.

  • 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; 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • Ferrighi, Lara; Frediani, Luca; Fossgaard, Eirik; Ruud, Kenneth. Two-photon absorption of 2.2paracyclophane derivatives in solution: A theoretical investigation. (fulltekst) Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.s doi: 10.1063/1.2814168.

  • 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.

  • 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.

  • Pecul, Magdalena; Ruud, Kenneth. Solvent effects on natural optical activity. John Wiley & Sons 2007 ISBN 0470029382.s 206 - 219.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • Norman, Patrick; Ruud, Kenneth. Microscopic Theory of Nonlinear Optics. Springer 2006 ISBN 1-4020-4849-1.s 1 - 49.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • Ruden, Torgeir Andersen; Ruud, Kenneth. Ro-vibrational corrections to NMR parameters. Wiley-VCH Verlagsgesellschaft 2004 ISBN 3-527-30779-6.s 153 - 173.

  • Ruden, Torgeir A.; Ruud, Kenneth. Ro-Vibrational Corrections to NMR Parameters. Wiley-VCH Verlagsgesellschaft 2004 ISBN 3-527-30779-6.s 153 - 173.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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 - .

  • 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.

  • 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.

  • 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.

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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.

  • 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 - .

  • 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 - .

  • 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 - .

  • 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 - .

  • 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.

  • Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve; Taylor, Peter R.. Molecular Polarizabilities and Magnetizabilities. 1999 ISBN 0-444-82508-8.s 147 - 188.

  • Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve Ulf; Taylor, Paul. Molecular polarizabilities and magnetizabilities. Elsevier 1999.s 147 - 188.

  • 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 - .

  • 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 - .

  • 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.

  • 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 - .

  • 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 - .

  • 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.

  • 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; 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.

  • 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 - .

  • 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 - .

  • 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 - .

  • 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.

  • 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 - .

  • 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 - .

  • 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. The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited. Chemical Physics Letters 1997; Volum 264. ISSN 0009-2614.s 17 - 23.

  • 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,.

  • 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 - .

  • 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.

  • 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.

  • 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 - .

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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; 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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 - .

  • 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 - .

  • 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 - .

  • 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.

  • 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 - .

  • 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.

  • 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.

  • 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.

  • 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 - .

  • 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 - .

  • 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 - .

  • 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.

  • 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. 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. 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.

  • 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.

  • 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.

  • 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. 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. Recursive calculation of high-order molecular properties. Gjesteforelesning Indian Association for the Cultivation of Science 2014-07-04 - 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.

  • 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. REHE-2014, 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-20 - 2014-09-24 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.

  • 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. Analytic calculations of anharmonic effects in vibrational spectroscopy. European Seminar on Computational Methods in Quantum Chemistry 2014-09-11 - 2014.

  • Ruud, Kenneth. Magnetic properties of interacting molecules: A failure of polarizable models?. Solutions for Solvation: International Workshop 2014-08-01 - 2014.

  • Ruud, Kenneth. Multiphoton absorption. Future of Electronic Structure Theory: Pushing Our Understanding and Limits 2014-09-08 - 2014.

  • Ruud, Kenneth. Analytic DFT calculations of anharmonic force constants. 5th International Conference on Perspectives in Vibrational Spectroscopy 2014-07-11 - 2014.

  • Ruud, Kenneth. Molecular Spectroscopy: Where theory meets experiment. Gjesteforelesning Universitetet i Kolkata 2014-07-07 - 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • 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.

  • Ringholm, Magnus; Ruud, Kenneth. Recursive calculation of high-order molecular response properties. 2013 ISBN 978-82-8236-114-9.

  • 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.

  • 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. Theoretical calculations of Raman spectroscopy coming of age. Group seminar 2008-04-03 - 2008-04-03 2008.

  • 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. 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. 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. 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. Introduksjon til Dr. Atomic av John Adams . Visning av operaen Dr.Atomic 2008-11-09 - 2008-11-09 2008.

  • Ruud, Kenneth. Teoretisk kjemi: En selvmotsigelse?. Academia Borealis medlemsmøte 2008-05-29 - 2008-05-29 2008.

  • Ruud, Kenneth. Fremragende publisering og formidling. Muninseminaret 2008 2008-11-28 - 2008-11-28 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. Molecular properties: Where theory and experiment play together. Opening of the Amsterdam Centre for Multiscale Modeling 2008-06-26 - 2008-06-26 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. Calculating higher-order mixed electric, magnetic and vibrational properties. Group seminar 2008-04-24 - 2008-04-24 2008.

  • 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.

  • Ruud, Kenneth. Solvent effects on chiroptical properties. American Chemical Society meeting Spring 2007 2007-03-25 - 2007.

  • Ruud, Kenneth. A general scheme for higher-order SCF responses. Workshop i forbindelse med dotorgradsdisputas 2007-10-01 - 2007.

  • Ruud, Kenneth. Solvent effects on molecular properties. NANOQUANT avslutningsmøte 2007-03-16 - 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. 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 på datamaskinen. Bladet Tromsø 2007.s 16 - 17.

  • 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. Why are ab initio calculations of ROA spectra so expensive?. Instituttkollokvium 2006-10-09 - 2006.

  • Ruud, Kenneth. Dalton: Functionality and interfaces. COST D37-DeciQ møte 2006-12-01 - 2006-12-02 2006.

  • 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.

  • 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 1890-2987.s 10 - 12.

  • Ruud, Kenneth. The Dalton program system. COST D37 workshop 2006-12-01 - 2006-12-02 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. Toward chiroptical properties of large molecules. Gruppeseminar 2005-04-13 - 2005-04-13 2005.

  • Ruud, Kenneth. Tungregning i forskningsfronten. Supercomputerdagen 2005 2005-09-30 - 2005.

  • Ruud, Kenneth. Store muligheter i en liten verden - om nanovitenskap. Årsfest for Universitetet i Tromsø 2005-09-23 - 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 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. 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 the ab initio calculation of chiroptical properties for large molecules. Instituttkollokvium 2005-02-03 - 2005-02-03 2005.

  • Ruud, Kenneth. The calculation of spectroscopic properties using the Dalton program. Instituttkollokvium 2005-09-07 - 2005.

  • 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.

  • Ruud, Kenneth. Relativistic effects on nuclear shielding tensors. Seminar in Theoretical Chemistry 2004-08-05 - 2004-08-05 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.

  • 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, K; Kerty, Emilia. En sykehistorie-riktig diagnose er stilt bare ved autopsy. Norsk Nevrologisk Forening 2004.

  • Ruud, Kenneth. Future HPC challenges in computational chemistry. NOTUR 2004 2004-06-09 - 2004-06-11 2004.

  • 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.

  • 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.

  • 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. Safe Sex, Dry Feet and Good Beer. Kjemi 2003 (9). ISSN 0023-1983.s 20 - .

  • Ruud, Kenneth. Magnetic properties of closed-shell molecules. 1998.

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