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Ruud, Kenneth


Professor
Universitetsledelsen


Telefon: 776 23101
Mobil jobb / Mobil privat: 90098353 /
Epost : kenneth.ruud@uit.no
Campus: Tromsø
Kontor/besøksadresse : Adm B 368 / Hovedgården
Funksjon : Teoretisk kjemi, Senter for Teoretisk og Beregningsbasert Kjemi (CTCC)

Stillingsbeskrivelse:

Prorektor for forskning og utvikling

Professor i teoretisk kjemi

Forskningsinteresser

- Utvikling av kvantekjemiske metoder for beregning av molekylære egenskaper

- Ikke-lineær optikk og multifotonprosesser, biofotonikk

- Utvikling og anvendelse av metoder for å studere løsningsmiddeleffekter

- Utvikling og anvendelse av metoder for å beskrive molekyler i (elektro)magnetiske felt

- Ikkelineær vibrasjonell spektroskopi

- Relatistiske egenskaper av molekyler

- Spinnegenskaper til molekyler med uparrede elektroner

- High-performance computing, parallelisering og grid

- Multiresolusjonsmetoder i kvantekjemi/fysikk

Forskningsprosjekter

- Higher-order molecular properties of molecules in the gas, liquid and solid state (YFF-prosjekt, NFR 2004-2009)

- Vibronic contributions to higher-order molecular properties (NFR

2007-2011)

- Centre for Theoretical and Computational Chemistry (SFF-prosjekt, NFR 2007-2017)

- Nordic Network of National Centres of Excellence in Computational Chemistry (Nordforsk, 2007-2010)

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)

Hjemmesider

www.ctcc.no/people/ruud

Forskerprofil i Cristin

Klikk her

Arbeider i CRIStin

  • Woywod, Clemens Joachim; Csehi, András; Halász, Gábor J.; Ruud, Kenneth; Vibok, Agnes. 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.
  • Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth. A general, recursive, and open-ended response code. Journal of Computational Chemistry 2014; Volum 35 (8). ISSN 0192-8651.s 622 - 633.s doi: 10.1002/jcc.23533.
  • Ringholm, Magnus; Jonsson, Dan Johan; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas johan; Ekstrøm, Ulf; Helgaker, Trygve; Ruud, Kenneth. Analytic cubic and quartic force fields using density-functional theory. Journal of Chemical Physics 2014; Volum 140 (3). ISSN 0021-9606.s doi: 10.1063/1.4861003.
  • Beerepoot, Maarten; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob. Convergence of environment polarization effects in multiscale modeling of excitation energies. Computational and Theoretical Chemistry 2014; Volum 1040-1041. ISSN 2210-271X.s 304 - 311.s doi: 10.1016/j.comptc.2014.03.022.
  • Beerepoot, Maarten; Friese, Daniel Henrik; Ruud, Kenneth. Intermolecular charge transfer enhances two-photon absorption in yellow fluorescent protein. (fulltekst) Physical Chemistry, Chemical Physics - PCCP 2014; Volum 16 (13). ISSN 1463-9076.s 5958 - 5964.s doi: 10.1039/c3cp55205e.
  • 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.
  • 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, Andreas; 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 2013; Volum 4 (3). ISSN 1759-0876.s 269 - 284.s doi: 10.1002/wcms.1172.
  • Badri, Zahra; Patak, Shubrhodeep; Fliegl, Heike; Parviz, Rashidi-Ranjibar; Bast, Radovan; Marek, Radek; Foroutan-Nejad, Cina; Ruud, Kenneth. All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters. Journal of Chemical Theory and Computation 2013; Volum 9 (11). ISSN 1549-9618.s 4789 - 4796.s doi: 10.1021/ct4007184.
  • Lin, Na; Barone, Vincenzo; Cappelli, Chiara; Zhao, Xian; Ruud, Kenneth; Santoro, Fabrizio. Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect. Molecular Physics 2013; Volum 111 (9-11). ISSN 0026-8976.s 1511 - 1525.s doi: 10.1080/00268976.2013.809490.
  • Frediani, Luca; Fossgaard, Eirik; Flå, Tor; Ruud, Kenneth. Fully adaptive algorithms for multivariate integral equations using the non-standard form and multiwavelets with applications to the Poisson and bound-state Helmholtz kernels in three dimensions. Molecular Physics 2013; Volum 111 (9-11). ISSN 0026-8976.s 1143 - 1160.s doi: 10.1080/00268976.2013.810793.
  • Demissie, Taye B.; Repisky, Michal; Komorovsky, Stanislav; Isaksson, Johan; Svendsen, John Sigurd; Dodziuk, H; Ruud, Kenneth. Four-component relativistic chemical shift calculations of halogenated organic compounds. Journal of Physical Organic Chemistry 2013; Volum 26 (8). ISSN 0894-3230.s 679 - 687.s doi: 10.1002/poc.3157.
  • Pathak, S; Bast, Radovan; Ruud, Kenneth. Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals. Journal of Chemical Theory and Computation 2013; Volum 9 (5). ISSN 1549-9618.s 2189 - 2198.s doi: 10.1021/ct3011198.
  • Malkin, Elena; Komorovsky, Stanislav; Repisky, Michal; Demissie, Taye B.; Ruud, Kenneth. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the Sn-119 Absolute Shielding. Journal of Physical Chemistry Letters 2013; Volum 4 (3). ISSN 1948-7185.s 459 - 463.s doi: 10.1021/jz302146m.
  • Chen, Xiao; Rinkevicius, Zilvinas; Ruud, Kenneth; Ågren, Hans. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic pi radicals. Journal of Chemical Physics 2013; Volum 138 (5:054310). ISSN 0021-9606.s doi: 10.1063/1.4789769.
  • Li, Xiaojun; Hopmann, Kathrin Helen; Hudecova, Jana; Isaksson, Johan; Novotná, Jana; Stensen, Wenche; Andrushchenko, Valery; Urbanová, Marie; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Determination of Absolute Configuration and Conformation of a Cyclic Dipeptide by NMR and Chiral Spectroscopic Methods. Journal of Physical Chemistry A 2013; Volum 117 (8). ISSN 1089-5639.s 1721 - 1736.s doi: 10.1021/jp311151h.
  • Lin, Na; Solheim, Harald; Zhao, Xian; Santoro, Fabrizio; Ruud, Kenneth. First principles studies of the vibrationally resolved magnetic circular dichroism spectra of biphenylene. Journal of Chemical Theory and Computation 2013; Volum 9 (3). ISSN 1549-9618.s 1557 - 1567.s doi: 10.1021/ct301101h.
  • Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M.. Cob(I)alamin: Insight Into the Nature of Electronically Excited States Elucidated via Quantum Chemical Computations and Analysis of Absorption, CD and MCD Data. Journal of Physical Chemistry A 2013; Volum 117 (5). ISSN 1089-5639.s 863 - 876.s doi: 10.1021/jp310446c.
  • Friese, Daniel H.; Hättig, Christof; Ruud, Kenneth. Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation. Physical Chemistry, Chemical Physics - PCCP 2012; Volum 14 (3). ISSN 1463-9076.s 1175 - 1184.s doi: 10.1039/c1cp23045j.
  • Thorvaldsen, Andreas johan; Gao, Bin; Ruud, Kenneth; Fedorovsky, Maxim; Zuber, Gerard; Hug, Werner. Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation. Chirality 2012; Volum 24 (12). ISSN 0899-0042.s 1018 - 1030.s doi: 10.1002/chir.22090.
  • Gao, Bin; Ruud, Kenneth; Luo, Yi. Plasmon resonances in linear noble-metal chains. Journal of Chemical Physics 2012; Volum 137 (19). ISSN 0021-9606.s doi: 10.1063/1.4766360.
  • 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.
  • 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.
  • Ruud, Kenneth; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas johan; Ekström, Ulf Egil; Visscher, Lucas. A General Toolbox for the Calculation of Higher-Order Molecular Properties Using SCF Wave Functions at the One-, Two- and Four-Component Levels of Theory. AIP Conference Proceedings 2012; Volum 1504. ISSN 0094-243X.s 639 - 642.s doi: 10.1063/1.4771776.
  • Mohammed, Abdelsalam; Ågren, Hans; Ringholm, Magnus; Thorvaldsen, Andreas johan; Ruud, Kenneth. Hyper Raman spectra calculated in a time-dependent Hartree-Fock method. Molecular Physics 2012; Volum 110 (19-20). ISSN 0026-8976.s 2315 - 2320.s doi: 10.1080/00268976.2012.659681.
  • 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.
  • Dodziuk, Helena; Demissie, Taye Beyene; Ruud, Kenneth; Szymanski, Slawomir; Jazwinski, Jaroslaw; Hopf, Henning. Structure and NMR spectra of cyclophanes with unsaturated bridges (cyclophenes). Magnetic Resonance in Chemistry 2012; Volum 50 (6). ISSN 0749-1581.s 449 - 457.s doi: 10.1002/mrc.3821.
  • Alam, Mehboob; Chattopadhyaya, Mausumi; Chakrabarti, Swapan; Ruud, Kenneth. High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through-Space Charge-Transfer Systems - A Surprising In Silico Observation. Journal of Physical Chemistry Letters 2012; Volum 3 (8). ISSN 1948-7185.s 961 - 966.s doi: 10.1021/jz300198y.
  • Tecmer, Pawel; Bast, Radovan; Ruud, Kenneth; Visscher, Lucas. Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4](2-)): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?. Journal of Physical Chemistry A 2012; Volum 116 (27). ISSN 1089-5639.s 7397 - 7404.s doi: 10.1021/jp3011266.
  • Kjærgaard, Thomas; Coriani, Sonia; Ruud, Kenneth. Ab initio calculation of magnetic circular dichroism. Wiley Interdisciplinary Reviews. Computational Molecular Science 2012; Volum 2 (3). ISSN 1759-0876.s 443 - 455.s doi: 10.1002/wcms.1091.
  • Ruud, Kenneth. Ab initio methods for vibrational circular dichroism and Raman optical activity. John Wiley & Sons 2012 ISBN 978-0-470-64135-4.s 699 - 727.
  • 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.
  • 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.
  • Li, Xiaojun; Hopmann, Kathrin Helen; Hudecova, Jana; Stensen, Wenche; Novotná, Jana; Urbanová, Marie; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation. Journal of Physical Chemistry A 2012; Volum 116 (10). ISSN 1089-5639.s 2554 - 2563.s doi: 10.1021/jp211454v.
  • Steindal, Arnfinn Hykkerud; Olsen, Jógvan Magnus Haugaard; Ruud, Kenneth; Frediani, Luca; Kongsted, Jacob. A combined quantum mechanics/molecular mechanics study of the one- and two-photon absorption in the green fluorescent protein. Physical Chemistry, Chemical Physics - PCCP 2012; Volum 14 (16). ISSN 1463-9076.s 5440 - 5451.s doi: 10.1039/c2cp23537d.
  • Štěpánek, Petr; Andrushchenko, Valery; Ruud, Kenneth; Bouř, Petr. Porphyrin Protonation Studied by Magnetic Circular Dichroism. Journal of Physical Chemistry A 2012; Volum 116 (1). ISSN 1089-5639.s 778 - 783.s doi: 10.1021/jp2105192.
  • Hopmann, Kathrin Helen; Šebestík, Jaroslav; Novotná, Jana; Stensen, Wenche; Urbanová, Marie; Svenson, Johan; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy. Journal of Organic Chemistry 2012; Volum 77 (2). ISSN 0022-3263.s 858 - 869.s doi: 10.1021/jo201598x.
  • Lin, Na; Solheim, Harald; Ruud, Kenneth; Nooijen, Marcel; Santoro, Fabrizio; Zhao, Xian; Kwit, Marcin; Skowronek, Pawel. Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality. Physical Chemistry, Chemical Physics - PCCP 2012; Volum 14 (10). ISSN 1463-9076.s 3669 - 3680.s doi: 10.1039/c2cp23584f.
  • Bast, Radovan; Ulf, Ekstrom; Gao, Bin; Helgaker, Trygve; Ruud, Kenneth; Thorvaldsen, Andreas johan. The ab initio calculation of molecular electric, magnetic and geometric properties. Physical Chemistry, Chemical Physics - PCCP 2011; Volum 13 (7). ISSN 1463-9076.s 2627 - 2651.s doi: 10.1039/c0cp01647k.
  • Rizzo, Antonio; Coriani, Sonia; Ruud, Kenneth. Response Function Theory Computational Approaches to Linear and Nonlinear Optical Spectroscopy. John Wiley & Sons 2011 ISBN 9780470470176.s 77 - 136.
  • Crawford, T. Daniel; Ruud, Kenneth. Coupled-Cluster Calculations of Vibrational Raman Optical Activity Spectra. ChemPhysChem 2011; Volum 12 (17). ISSN 1439-4235.s 3442 - 3448.s doi: 10.1002/cphc.201100547.
  • Lin, Na; Luo, Yi; Ruud, Kenneth; Zhao, X; Santoro, Fabrizio; Rizzo, Antonio. Differences in Two-photon and One-photon Absorption Profiles induced by Vibronic Coupling. The case of dioxaborine heterocyclic dye.. ChemPhysChem 2011; Volum 12 (17). ISSN 1439-4235.s 3392 - 3403.s doi: 10.1002/cphc.201100500.
  • Orlando, R; Bast, Radovan; Ruud, Kenneth; Ekström, Ulf Egil; Ferrabone, M; Kirtman, B; Dovesi, R. The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn-Sham Scheme. Journal of Physical Chemistry A 2011; Volum 115 (45). ISSN 1089-5639.s 12631 - 12637.s doi: 10.1021/jp203237m.
  • Dodziuk, Helena; Szymanski, Slawomir; Jazwinski, Jaroslav; Ostrowski, Maciej; Demissie, Taye Beyene; Ruud, Kenneth; Kus, Piotr; Hopf, Henning; Lin, Shaw-Tao. Structure and NMR Spectra of Some [2.2]Paracyclophanes. The Dilemma of [2.2]Paracyclophane Symmetry. Journal of Physical Chemistry A 2011; Volum 115 (38). ISSN 1089-5639.s 10638 - 10649.s doi: 10.1021/jp205693a.
  • Shcherbin, Dmitri; Thorvaldsen, Andreas johan; Jonsson, Dan Johan; Ruud, Kenneth. Gauge-origin independent calculations of Jones birefringence. Journal of Chemical Physics 2011; Volum 135 (13). ISSN 0021-9606.s doi: 10.1063/1.3645182.
  • Hopmann, Kathrin Helen; Ruud, Kenneth; Pecul, Magdalena; Kudelski, Andrzej; Dracinsky, Martin; Bour, Petr. Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra. Journal of Physical Chemistry B 2011; Volum 115 (14). ISSN 1520-6106.s 4128 - 4137.s doi: 10.1021/jp110662w.
  • Bast, Radovan; Ruud, Kenneth; Rizzo, Antonio; Helgaker, Trygve. Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals. Theoretical Chemistry accounts 2011; Volum 129 (3-5). ISSN 1432-881X.s 685 - 699.s doi: 10.1007/s00214-011-0939-3.
  • Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca; Aidas, Kestutis; Kongsted, Jacob. Excitation Energies in Solution: The Fully Polarizable QM/MM/PCM Method. Journal of Physical Chemistry B 2011; Volum 115 (12). ISSN 1520-6106.s 3027 - 3037.s doi: 10.1021/jp1101913.
  • Kornobis, Karina; Kumar, Neeraj; Wong, Bryan M.; Lodowski, Piotr; Jaworska, Maria; Andruniow, Tadeusz; Ruud, Kenneth; Kozlowski, Pawel M.. Electronically Excited States of Vitamin B-12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods. Journal of Physical Chemistry A 2011; Volum 115 (7). ISSN 1089-5639.s 1280 - 1292.s doi: 10.1021/jp110914y.
  • Solheim, Harald; Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M.. Electronically Excited States of Vitamin B-12 and Methylcobalamin: Theoretical Analysis of Absorption, CD, and MCD Data. Journal of Physical Chemistry B 2011; Volum 115 (4). ISSN 1520-6106.s 737 - 748.s doi: 10.1021/jp109793r.
  • Chen, Xing; Rinkevicius, Zilvinas; Cao, Zexing; Ruud, Kenneth; Ågren, Hans. Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic molecules. Physical Chemistry, Chemical Physics - PCCP 2011; Volum 13 (2). ISSN 1463-9076.s 696 - 707.s doi: 10.1039/c0cp01443e.
  • Pecul-Kudelska, Magdalena; Ruud, Kenneth. The optical activity of beta,gamma-enones in ground and excited states using circular dichroism and circularly polarized luminescence. Physical Chemistry, Chemical Physics - PCCP 2011; Volum 13 (2). ISSN 1463-9076.s 643 - 650.s doi: 10.1039/c0cp01149e.
  • Gao, Bin; Thorvaldsen, Andreas johan; Ruud, Kenneth. GEN1INT: A Unified Procedure for the Evaluation of One-Electron Integrals Over Gaussian Basis Functions and Their Geometric Derivatives. International Journal of Quantum Chemistry 2011; Volum 111 (4). ISSN 0020-7608.s 858 - 872.s doi: 10.1002/qua.22886.
  • Guillaume, Maxime; Ruud, Kenneth; Rizzo, Antonio; Monti, S; Lin, Zongkai; Xu, X.. Computational Study of the One- and Two-Photon Absorption and Circular Dichroism of (L)-Tryptophan. Journal of Physical Chemistry B 2010; Volum 114 (19). ISSN 1520-6106.s 6500 - 6512.s doi: 10.1021/jp1004659.
  • Gao, Bin; Ruud, Kenneth; Thorvaldsen, Andreas johan. GEN1INT: A unified procedure for the evaluation of one-electron integrals over Gaussian basis functions and their geometric derivatives. International Journal of Quantum Chemistry 2010; Volum 111 (4). ISSN 0020-7608.s 858 - 872.s doi: 10.1002/qua.22886.
  • Pecul-Kudelska, Magdalena; Deillon, Christine; Thorvaldsen, Andreas johan; Ruud, Kenneth. The aqueous Raman optical activity spectra of 4(R)-hydroxyproline: theory and experiment. Journal of Raman Spectroscopy 2010; Volum 41 (10). ISSN 0377-0486.s 1200 - 1210.s doi: 10.1002/jrs.2572.
  • Murugan, N. Arul; Jha, PC; Rinkevicius, Zilvinas; Ruud, Kenneth; Ågren, Hans. Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach. Journal of Chemical Physics 2010; Volum 132 (23). ISSN 0021-9606.s doi: 10.1063/1.3436516.
  • Ruud, Kenneth; Thorvaldsen, Andreas johan. Theoretical Approaches to the Calculation of Raman Optical Activity Spectra. Chirality 2010; Volum 21 (1E). ISSN 0899-0042.s E54 - E67.s doi: 10.1002/chir.20777.
  • Orlando, R; Lacivita, V; Bast, Radovan; Ruud, Kenneth. Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF results. Journal of Chemical Physics 2010; Volum 132 (24). ISSN 0021-9606.s doi: 10.1063/1.3447387.
  • Ekstrøm, Ulf; Visscher, Lucas; Bast, Radovan; Thorvaldsen, Andreas johan; Ruud, Kenneth. Arbitrary-Order Density Functional Response Theory from Automatic Differentiation. Journal of Chemical Theory and Computation 2010; Volum 6 (7). ISSN 1549-9618.s 1971 - 1980.s doi: 10.1021/ct100117s.
  • Mohammed, A; Agren, H; Thorvaldsen, Andreas johan; Ruud, Kenneth. Ab initio study of coherent anti-Stokes Raman scattering (CARS) of the 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) explosive. Chemical Physics Letters 2010; Volum 485 (4-6). ISSN 0009-2614.s 320 - 325.s doi: 10.1016/j.cplett.2009.12.061.
  • Ferrighi, Lara; Frediani, Luca; Ruud, Kenneth. Excited-state polarizabilities of solvated molecules using cubic response theory and the polarizable continuum model. Journal of Chemical Physics 2010; Volum 132 (2). ISSN 0021-9606.s doi: 10.1063/1.3291026.
  • Coriani, Sonia; Kjærgaard, Thomas; Jørgensen, Poul; Ruud, Kenneth; Huh, J; Berger, R. An Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties. Journal of Chemical Theory and Computation 2010; Volum 6 (4). ISSN 1549-9618.s 1028 - 1047.s doi: 10.1021/ct900506c.
  • Pedersen, Thomas Bondo; Kongsted, Jacob; Crawford, T. Daniel; Ruud, Kenneth. On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution. Journal of Chemical Physics 2009; Volum 130. ISSN 0021-9606.s doi: 10.1063/1.3054301.
  • Lutnæs, Ola B.; Teale, AM; Helgaker, Trygve; Tozer, DJ; Ruud, Kenneth; Gauss, J. Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations. Journal of Chemical Physics 2009; Volum 131 (14). ISSN 0021-9606.s doi: 10.1063/1.3242081.
  • Ruud, Kenneth; Thorvaldsen, Andreas johan. Theoretical approaches to the calculation of Raman optical activity spectra. Chirality 2009; Volum 21. ISSN 0899-0042.s S54 - S67.
  • Bast, Radovan; Thorvaldsen, Andreas johan; Ringholm, Magnus; Ruud, Kenneth. Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models. Chemical Physics 2009; Volum 356 (1-3). ISSN 0301-0104.s 177 - 186.s doi: 10.1016/j.chemphys.2008.10.033.
  • Julinek, O; Setnicka, V; Miklasova, N; Putala, M; Ruud, Kenneth; Urbanova, M. Determination of Molecular Structure of Bisphenylene Homologues of BINOL-Based Phosphoramidites by Chiroptical Methods. Journal of Physical Chemistry A 2009; Volum 113 (40). ISSN 1089-5639.s 10717 - 10725.s doi: 10.1021/jp906724f.
  • Thorvaldsen, Andreas johan; Ferrighi, Lara; Ruud, Kenneth; Agren, H; Jørgensen, Poul; Coriani, Sonia; Jorgensen, P. Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (13). ISSN 1463-9076.s 2293 - 2304.s doi: 10.1039/b812045e.
  • Shcherbin, Dmitri; Thorvaldsen, Andreas johan; Ruud, Kenneth; Coriani, S; Rizzo, A. Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence. Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (5). ISSN 1463-9076.s 816 - 825.s doi: 10.1039/b815752a.
  • Chakrabarti, S; Ruud, Kenneth. Large two-photon absorption cross section: molecular tweezer as a new promising class of compounds for nonlinear optics. Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (15). ISSN 1463-9076.s 2592 - 2596.s doi: 10.1039/b822395e.
  • Pedersen, TB; Kongsted, J; Ruud, Kenneth; Crawford, Daniel. On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution. Journal of Chemical Physics 2009; Volum 130 (3). ISSN 0021-9606.s doi: 10.1063/1.3054301.
  • Dodziuk, H; Ostrowski, M; Ruud, Kenneth; Jazwinski, J; Hopf, H; Kozminski, Wiktor. Spatial structure and NMR spectra of strained [2.2.2]cyclophanes. Magnetic Resonance in Chemistry 2009; Volum 47 (5). ISSN 0749-1581.s 407 - 414.s doi: 10.1002/mrc.2402.
  • Coriani, Sonia; Forzato, C; Furlan, Giada; Nitti, P; Pitacco, G; Ringholm, Magnus; Ruud, Kenneth. Synthesis, characterization and assignment of the absolute configuration of 4,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylic acid and its esters: a combined experimental and theoretical investigation. Tetrahedron: asymmetry 2009; Volum 20 (13). ISSN 0957-4166.s 1459 - 1467.s doi: 10.1016/j.tetasy.2009.06.002.
  • Peach, MJG; Le Sueur, CR; Ruud, Kenneth; Guillaume, Maxime; Tozer, DJ. TDDFT diagnostic testing and functional assessment for triazene chromophores. Physical Chemistry, Chemical Physics - PCCP 2009; Volum 11 (22). ISSN 1463-9076.s 4465 - 4470.s doi: 10.1039/b822941d.
  • Rizzo, Antonio; Shcherbin, Dmitri; Ruud, Kenneth. Jones and magnetoelectric birefringence of pure substances - A computational study. Canadian journal of chemistry (Print) 2009; Volum 87 (10). ISSN 0008-4042.s 1352 - 1361.s doi: 10.1139/V09-087.
  • Solheim, Harald; Frediani, Luca; Ruud, Kenneth; Coriani, Sonia. An IEF-PCM study of solvent effects on the Faraday B term of MCD. Theoretical Chemistry accounts 2008; Volum 119. ISSN 1432-881X.s 231 - 244.s doi: 10.1007/s00214-006-0235-9.
  • 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.
  • Kongsted, Jacob; Ruud, Kenneth. Solvent effects on zero-point vibrational corrections to optical rotations and nuclear magnetic resonance shielding constants. Chemical Physics Letters 2008; Volum 451. ISSN 0009-2614.s 226 - .s doi: 10.1016/j.cplett.2007.12.008.
  • Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra. Chemical Physics 2008; Volum 343. ISSN 0301-0104.s 200 - 209.s doi: 10.1016/j.chemphys.2007.06.002.
  • Solheim, Harald; Ruud, Kenneth; Coriani, Sonia; Norman, Patrick. Complex polarization propagator calculations of magnetic circular dichroism spectra. Journal of Chemical Physics 2008; Volum 128. ISSN 0021-9606.
  • Shcherbin, Dmitri; Ruud, Kenneth. The use of Coulomb-attenuated methods for the calculation of electronic circular dichroism spectra. Chemical Physics 2008; Volum 349. ISSN 0301-0104.s 234 - 243.s doi: 10.1016/j.chemphys.2008.02.029.
  • Thorvaldsen, Andreas johan; Ruud, Kenneth; Rizzo, Antonio; Coriani, Sonia. Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals. Journal of Chemical Physics 2008; Volum 129 (16). ISSN 0021-9606.s doi: 10.1063/1.2993325.
  • Thorvaldsen, Andreas johan; Ruud, Kenneth; Jaszunski, Michal. Analytic Calculations of Vibrational Hyperpolarizabilities in the Atomic Orbital Basis. Journal of Physical Chemistry A 2008; Volum 112 (46). ISSN 1089-5639.s 11942 - 11950.s doi: 10.1021/jp806197p.
  • Thorvaldsen, Andreas johan; Ruud, Kenneth; Kristensen, Kasper; Jørgensen, Poul; Coriani, Sonia. A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets. Journal of Chemical Physics 2008; Volum 129 (21). ISSN 0021-9606.s doi: 10.1063/1.2996351.
  • Rinkevicius, Zilvinas; de Almeida, Katia Julia; Oprea, Cornel I.; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic Effects. Journal of Chemical Theory and Computation 2008; Volum 4 (11). ISSN 1549-9618.s 1810 - 1828.s doi: 10.1021/ct800053f.
  • Rizzo, A; Lin, N; Ruud, Kenneth. Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone. Journal of Chemical Physics 2008; Volum 128. ISSN 0021-9606.s doi: 10.1063/1.2907727.
  • Lin, N; Ferrighi, Lara; Zhao, X; Ruud, Kenneth; Rizzo, A; Luo, Y. Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule. Journal of Physical Chemistry B 2008; Volum 112. ISSN 1520-6106.s doi: 10.1021/jp7107522.
  • Pecul, Magdalena; Ruud, Kenneth. Solvent effects on natural optical activity. John Wiley & Sons 2007 ISBN 0470029382.s 206 - 219.
  • Kongsted, Jacob; Nielsen, Christian B.; Mikkelsen, Kurt V.; Christiansen, Ove; Ruud, Kenneth. Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models. Journal of Chemical Physics 2007; Volum 126. ISSN 0021-9606.s doi: 10.1063/1.2424713.
  • Aidas, Kestutis; Kongsted, Jacob; Nielsen, Christian B.; Mikkelsen, Kurt V.; Christiansen, Ove; Ruud, Kenneth. Gauge-origin independent magnetizabilities from hybrid quantum-mechanical/molecular mechanical models. Theory and applications to liquid water. Chemical Physics Letters 2007; Volum 442. ISSN 0009-2614.s 322 - .s doi: 10.1016/j.cplett.2007.06.003.
  • Aidas, K; Mogelhoj, A; Kjaer, H; Nielsen, CB; Mikkelsen, KV; Ruud, Kenneth; Christiansen, O; Kongsted, J. Solvent effects on NMR isotropic shielding constants. A comparison between explicit polarizable discrete and continuum approaches. Journal of Physical Chemistry A 2007; Volum 111. ISSN 1089-5639.s doi: 10.1021/jp068693e.
  • Ferrighi, Lara; Frediani, Luca; Ruud, Kenneth. Degenerate four-wave mixing in solution by cubic response theory and the polarizable continuum model. Journal of Physical Chemistry B 2007; Volum 111. ISSN 1520-6106.s 8965 - 8973.s doi: 10.1021/jp0721191.
  • Ferrighi, Lara; Frediani, Luca; Fossgaard, Eirik; Ruud, Kenneth. Two-photon absorption of 2.2paracyclophane derivatives in solution: A theoretical investigation. (fulltekst) Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.s doi: 10.1063/1.2814168.
  • Gauss, J; Ruud, Kenneth; Kallay, M. Gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster level. Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.s doi: 10.1063/1.2755664.
  • Rizzo, Antonio; Ruud, Kenneth; Frediani, Luca. An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution. Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.
  • Liegeois, Vincent; Ruud, Kenneth; Champagne, Benoit. An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra. Journal of Chemical Physics 2007; Volum 127. ISSN 0021-9606.
  • Norman, Patrick; Ruud, Kenneth. Microscopic Theory of Nonlinear Optics. Springer 2006 ISBN 1-4020-4849-1.s 1 - 49.
  • Cheng, Maosheng; Li, Qiang; Lin, Bin; Sha, Yu; Ren, Jinhong; He, Yan; Wang, Qinghe; Hua, Huiming; Ruud, Kenneth. The Assignment of Absolute Configuration of (-)-Linarinic Acid by Theoretical Calculations and Asymmetric Total Synthesis. Tetrahedron: asymmetry 2006; Volum 17. ISSN 0957-4166.s 179 - 183.
  • Fossgaard, Erik; Ruud, Kenneth. Superlinear scaling in master-slave quantum chemical calculations using in-core storage of two-electron integrals. Journal of Computational Chemistry 2006; Volum 27. ISSN 0192-8651.s 326 - 333.
  • Pecul, Magdalena; Lamparska, Ewa; Cappelli, Chiara; Frediani, Luca; Ruud, Kenneth. Solvent Effects on Raman Optical Activity Spectra Calculated Using the Polarizable Continuum Model. Journal of Physical Chemistry A 2006; Volum 110. ISSN 1089-5639.s 2807 - 2815.
  • Jaszunski, Michal; Ruud, Kenneth. Absolute nuclear magnetic resonance shielding constants in XH_4 group XIV hydrides. Molecular Physics 2006; Volum 104. ISSN 0026-8976.s 2139 - 2148.
  • Coriani, Sonia; Baranowska, Angelika; Ferrighi, Lara; Forzato, C; Marchesan, Domenico; Nitti, P; Pitacco, G; Rizzo, Antonio; Ruud, Kenneth. Solvent effects on the conformational distribution and optical rotation of a family of gamma-butyrolactones derived from paraconic acid. Chirality 2006; Volum 18. ISSN 0899-0042.s 357 - 369.
  • Ferrighi, Lara; Frediani, Luca; Cappelli, Chiara; Salek, Pawel; Ågren, Hans; Helgaker, Trygve; Ruud, Kenneth. Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) og push-pull phenylpolyenes in solution. Chemical Physics Letters 2006; Volum 425. ISSN 0009-2614.s 267 - 272.
  • Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. ChemPhysChem 2006; Volum 7. ISSN 1439-4235.s 2189 - 2196.
  • Ferrighi, Lara; Frediani, Luca; Fossgaard, Eirik; Ruud, Kenneth. Parallelization of the integral equation formulation of the polarizable continuum model for higher-order response functions. Journal of Chemical Physics 2006; Volum 125. ISSN 0021-9606.
  • Jansik, Branislav; Rizzo, Antonio; Frediani, Luca; Ruud, Kenneth; Coriani, Sonia. A combined density functional/polarizable continuum model study of magnetochiral birefringence: Can theory and experiment be brought to agreement?. Journal of Chemical Physics 2006; Volum 125. ISSN 0021-9606.
  • 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.
  • Pecul, Magdalena; Marchesan, Domenico; Ruud, Kenneth; Coriani, Sonia. Polarizable continuum model study of solvent effects on electronic circular dichroism parameters. Journal of Chemical Physics 2005; Volum 122. ISSN 0021-9606.s doi: 024106.
  • Marchesan, Domenico; Coriani, Sonia; Forzato, C; Nitti, P; Pitacco, G; Ruud, Kenneth. Optical rotation calculation of a highly flexible molecule: The case of paraconic acid. Journal of Physical Chemistry A 2005; Volum 109. ISSN 1089-5639.s 1449 - 1453.
  • Manninen, Pekka; Ruud, Kenneth; Lantto, Pertu; Vaara, Juha. Leading-order relativistic effects on nuclear magnetic resonance shielding tensors. Journal of Chemical Physics 2005; Volum 122. ISSN 0021-9606.
  • Pecul, Magdalena; Ruud, Kenneth. Ab initio calculation of vibrational Raman optical activity. International Journal of Quantum Chemistry 2005; Volum 104. ISSN 0020-7608.s 816 - 829.
  • Oprea, Cornel I.; Rinkevicius, Zilvinas; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections. Journal of Chemical Physics 2005; Volum 123. ISSN 0021-9606.
  • Frediani, Luca; Ågren, Hans; Ferrighi, Lara; Ruud, Kenneth. Second-harmonic generation of solvated molecules using MCSCF quadratic response theory and the polarizable continuum model. Journal of Chemical Physics 2005; Volum 123. ISSN 0021-9606.
  • Reiher, Markus; Liegeois, Vincent; Ruud, Kenneth. Basis set and density functional dependence of vibrational Raman optical activity calculations. Journal of Physical Chemistry A 2005; Volum 109. ISSN 1089-5639.s 7567 - 7574.
  • Polavarapu, Prasad L.; He, Jiangtao; Crassous, Jeanne; Ruud, Kenneth. Absolute configuration of C76 from optical rotatory dispersion. ChemPhysChem 2005; Volum 6. ISSN 1439-4235.s 2535 - 2540.s doi: 10.1002/cphc.200500171.
  • Pecul, Magdalena; Ruud, Kenneth. The ab initio calculation of optical rotation and electronic circular dichroism. Advances in Quantum Chemistry 2005; Volum 50. ISSN 0065-3276.s 185 - .
  • Mohn, Chris E.; Wilson, David J.D.; Lutnæs, Ola B.; Helgaker, Trygve; Ruud, Kenneth. The rotational g tensor as a benchmark for ab initio molecular property calculations. Advances in Quantum Chemistry 2005; Volum 50. ISSN 0065-3276.s 77 - .
  • Ferrighi, Lara; Marchesan, Domenico; Ruud, Kenneth; Frediani, Luca; Coriani, Sonia. Gauge-origin independent magnetizabilities of solvated molecules using the polarizable continuum model (PCM). Journal of Chemical Physics 2005; Volum 123. ISSN 0021-9606.
  • Mohn, Chris Erik; Wilson, David John; Lutnæs, Ola Berg; Helgaker, Trygve; Ruud, Kenneth. The rotational g tensor as a benchmark for ab initio molecular property calculations. Advances in Quantum Chemistry 2005; Volum 50. ISSN 0065-3276.s 77 - 90.s doi: 10.1016/S0065.
  • Ruden, Torgeir Andersen; Ruud, Kenneth. Ro-vibrational corrections to NMR parameters. Wiley-VCH Verlagsgesellschaft 2004 ISBN 3-527-30779-6.s 153 - 173.
  • Frediani, Luca; Cammi, Roberto; Pomelli, Christian S.; Tomasi, Jacopo; Ruud, Kenneth. New developments in the symmetry-adapted algorithm of the polarizable continuum model. Journal of Computational Chemistry 2004; Volum 25. ISSN 0192-8651.s 375 - 385.
  • 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.
  • 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.
  • Havenith, Remco W.A.; Taylor, Peter R.; Angeli, Celestino; Cimiraglia, Renzo; Ruud, Kenneth. Calibration of the n-electron valence state perturbation theory approach. Journal of Chemical Physics 2004; Volum 120 (10). ISSN 0021-9606.s 4619 - 4625.
  • Norman, Patrick; Ruud, Kenneth; Helgaker, Trygve. Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions. Journal of Chemical Physics 2004; Volum 120 (11). ISSN 0021-9606.s 5027 - 5035.
  • Minaev, Boris; Loboda, Oleksander; Vahtras, Olav; Ruud, Kenneth; Ågren, Hans. Solvent effects on optically detected magnetic resonance in triplet spin labels. Theoretical Chemistry accounts 2004; Volum 111. ISSN 1432-881X.s 168 - 175.
  • Pecul, Magdalena; Pecul, Magdalena; Ruud, Kenneth; Rizzo, Antonio; Helgaker, Trygve. Conformational effects on the optical rotation of alanine and proline. Journal of Physical Chemistry A 2004; Volum 108 (19). ISSN 1089-5639.s 4269 - 4276.
  • Pecul, Magdalena; Pecul, Magdalena; Ruud, Kenneth; Helgaker, Trygve. Density functional theory calculation of electronic circular dichroism using London orbitals. Chemical Physics Letters 2004; Volum 388. ISSN 0009-2614.s 110 - 119.
  • 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.
  • Ruud, Kenneth; Mennucci, Benedetta; Cammi, Roberto; Frediani, Luca. The calculation of excited-state polarizabilities of solvated molecules. Journal of Computational Methods in Sciences and Engineering 2004; Volum 4 (4). ISSN 1472-7978.s 381 - 397.
  • Ruden, Torgeir A.; Ruud, Kenneth. Ro-Vibrational Corrections to NMR Parameters. Wiley-VCH Verlagsgesellschaft 2004 ISBN 3-527-30779-6.s 153 - 173.
  • Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve Ulf; Salek, Pawel; Ågren, Hans; Vahtras, Olav. Sternheimer shieldings and EFG polarizabilities: a density-functional theory study. Chemical Physics Letters 2003; Volum 372. ISSN 0009-2614.s 377 - 385.
  • Jaszunski, Michal; Ruud, Kenneth; Helgaker, Trygve Ulf. DFT calculation of the NMR indirect spin-spin coupling constants of C60. Molecular Physics 2003; Volum 101. ISSN 0026-8976.s 1997 - 2002.
  • Jaszunski, Michal; Ruud, Kenneth; Helgaker, Trygve. DFT calculations of the NMR indirect nuclear spin-spin coupling constants in C60. Molecular Physics 2003; Volum 101. ISSN 0026-8976.s 1997 - .
  • Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Schimmelpfennig, Bernd; Ruud, Kenneth; Jonsson, Dan; Ågren, Hans. Ab Initio Calculations of Zero-Field Splitting Parameters of the Linear Polyacenes. Chemical Physics 2003; Volum 286. ISSN 0301-0104.s 127 - .
  • Ruud, Kenneth; Frediani, Luca; Cammi, Roberto; Mennucci, Benedetta. Solvent effects on the indirect spin-spin coupling constants of benzene: The DFT-PCM approach. International Journal of Molecular Sciences 2003; Volum 4. ISSN 1422-0067.s 119 - .
  • Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Salek, Pawel; Ågren, Hans; Vahtras, Olav. Sternheimer shieldings and EFG polarizabilities: a density-functional theory study. Chemical Physics Letters 2003; Volum 372. ISSN 0009-2614.s 377 - .
  • Ruden, Torgeir A.; Lutnæs, Ola B.; Helgaker, Trygve; Ruud, Kenneth. Vibrational corrections to indirect nuclear spin-spin coupling constants calculated by density-functional theory. Journal of Chemical Physics 2003; Volum 118. ISSN 0021-9606.s 9572 - .
  • Ruud, Kenneth; Stephens, Philip J.; Devlin, Frank J.; Taylor, Peter R.; Cheeseman, James R.; Frisch, Michael J.. Coupled-cluster calculations of optical rotation. Chemical Physics Letters 2003; Volum 373. ISSN 0009-2614.s 606 - .
  • Manninen, Pekka; Lantto, Pertu; Vaara, Juha; Ruud, Kenneth. Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors. Journal of Chemical Physics 2003; Volum 119. ISSN 0021-9606.s 2623 - .
  • Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Ab initio study of non-homogeneous broadening of the zero-field splitting of triplet guest molecules in diluted glasses. Journal of Chemical Physics 2003; Volum 119. ISSN 0021-9606.s 3120 - .
  • Rizzo, Antonio; Ruud, Kenneth; Norman, Patrick. Relativistic effects on Sternheimer shieldings and the polarizabilities of the electric-field gradient at the nucleus. Journal of Molecular Structure: THEOCHEM 2003; Volum 633. ISSN 0166-1280.s 163 - .
  • Cammi, Roberto; Frediani, Luca; Mennucci, Benedetta; Ruud, Kenneth. MCSCF linear response theory for the Polarizable Continuum Model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution. Journal of Chemical Physics 2003; Volum 119. ISSN 0021-9606.s 5818 - .
  • Åstrand, Per-Olof; Ruud, Kenneth. Zero-point vibrational contributions to fluorine shieldings in organic molecules. Physical Chemistry, Chemical Physics - PCCP 2003; Volum 5. ISSN 1463-9076.s 5015 - 5020.
  • Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. Vibrational effects on molecular properties in large molecules. Journal of Computational Methods in Sciences and Engineering 2003; Volum 3. ISSN 1472-7978.s 7 - 39.
  • Ruud, Kenneth; Helgaker, Trygve; Bour, Petr. Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity. Journal of Physical Chemistry A 2002; Volum 106. ISSN 1089-5639.s 7448 - .
  • Ruud, Kenneth; Helgaker, Trygve Ulf. Optical rotation studied by density-functional and coupled-cluster methods. Chemical Physics Letters 2002; Volum 352. ISSN 0009-2614.s 533 - 539.
  • Christiansen, Ove; Ruden, Torgeir Andersen; Ruud, Kenneth; Helgaker, Trygve Ulf. Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O. Journal of Chemical Physics 2002; Volum 116. ISSN 0021-9606.s 8334 - 8342.
  • Ruud, Kenneth; Helgaker, Trygve Ulf; Bour, Petr. Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity. Journal of Physical Chemistry A 2002; Volum 106. ISSN 1089-5639.s 7448 - 7455.
  • Rizzo, Antonio; Ruud, Kenneth; Bishop, David M.. Interatomic interactions and the Cotton-Mouton effect for helium. Molecular Physics 2002; Volum 100. ISSN 0026-8976.s 799 - .
  • Lantto, Pertu; Vaara, Juha; Kantola, Anu M.; Telkki, Ville-Veikko; Schimmelpfennig, Bernd; Ruud, Kenneth; Jokisaari, Jukka. Relativistic Spin-Orbit Coupling Effects on Secondary Isotope Shifts of 13C Nuclear Shielding in CX2 (X = O, S, Se, Te). Journal of the American Chemical Society 2002; Volum 124. ISSN 0002-7863.s 2762 - .
  • Norman, Patrick; Schimmelpfennig, Bernd; Ruud, Kenneth; Jensen, Hans Jørgen Aa.; Ågren, Hans. Relativistic effects on linear and nonlinear polarizabilities studied by Effective-Core Potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory. Journal of Chemical Physics 2002; Volum 116. ISSN 0021-9606.s 6914 - .
  • Christiansen, Ove; Ruden, Torgeir A.; Ruud, Kenneth; Helgaker, Trygve. Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O. Journal of Chemical Physics 2002; Volum 116. ISSN 0021-9606.s 8334 - .
  • Vahtras, Olav; Loboda, Oleksander; Minaev, Boris; Ågren, Hans; Ruud, Kenneth. Ab Initio Calculations of Zero-Field Splitting Parameters. Chemical Physics 2002; Volum 279. ISSN 0301-0104.s 133 - .
  • Cammi, Roberto; Frediani, Luca; Mennucci, Benedetta; Tomasi, Jacopo; Ruud, Kenneth; Mikkelsen, Kurt V.. A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation. Journal of Chemical Physics 2002; Volum 117. ISSN 0021-9606.s 13 - .
  • Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. Molecular Magnetizabilities: Zero-Point Vibrational Effects and the Breakdown of Pascal's Rule. Journal of Physical Chemistry A 2001; Volum 105. ISSN 1089-5639.s 9926 - .
  • Ruud, Kenneth; Jonsson, Dan; Taylor, Peter R.. The dispersion of the polarizability of C60: A confirmation of recent experimental results through theoretical calculations. Journal of Chemical Physics 2001; Volum 114. ISSN 0021-9606.s 4331 - .
  • Jaszunski, Michal; Ruud, Kenneth. Spin-spin coupling constants in C2H2. Chemical Physics Letters 2001; Volum 336. ISSN 0009-2614.s 473 - .
  • Ruud, Kenneth; Taylor, Peter R.; Åstrand, Per-Olof. Zero-point vibrational effects on optical rotation. Chemical Physics Letters 2001; Volum 337. ISSN 0009-2614.s 217 - .
  • Jonsson, Dan; Norman, Patrick; Ågren, Hans; Rizzo, Antonio; Coriani, Sonia; Ruud, Kenneth. The Cotton-Mouton effect of gaseous CO2, N2O, OCS and CS2. A cubic response multiconfigurational self-consistent field study. Journal of Chemical Physics 2001; Volum 114. ISSN 0021-9606.s 8372 - .
  • Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. Zero-point Vibrational Effects on Proton Shieldings: Functional-Group Contributions from ab Initio Calculations. Journal of the American Chemical Society 2001; Volum 123. ISSN 0002-7863.s 4826 - .
  • Haaland, Arne; Helgaker, Trygve; Ruud, Kenneth; Shorokhov, Dimitry J.. Should gaseous BF3 and SiF4 be described as ionic compounds?. Journal of Chemical Education 2000; Volum 77. ISSN 0021-9584.s 1076 - .
  • Haaland, Arne; Helgaker, Trygve Ulf; Ruud, Kenneth; Shorokhov, Dimitry J.. Should gaseous BF3 and SiF4 be described as ionic compounds?. Journal of Chemical Education 2000; Volum 77. ISSN 0021-9584.s 1076 - 1080.
  • Ruud, Kenneth; Taylor, Peter R.; Jaszunski, Michal. Comment on "On the Magnetic Susceptibility of Fluorine". Journal of Physical Chemistry A 2000; Volum 104. ISSN 1089-5639.s 168 - .
  • Åstrand, Per-Olof; Ruud, Kenneth; Taylor, Peter R.. Calculation of the vibrational wave function of polyatomic molecules. Journal of Chemical Physics 2000; Volum 112. ISSN 0021-9606.s 2655 - .
  • Ruud, Kenneth; Åstrand, Per-Olof; Taylor, Peter R.. An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules. Journal of Chemical Physics 2000; Volum 112. ISSN 0021-9606.s 2668 - .
  • Åstrand, Per-Olof; Ruud, Kenneth; Sundholm, Dage. A modified variation-perturbation approach to zero-point vibrational motion. Theoretical Chemistry accounts 2000; Volum 103. ISSN 1432-881X.s 365 - .
  • Polavarapu, Prasad L.; Chakraborty, Dilip K.; Ruud, Kenneth. Molecular optical rotation: an evaluation of semiempirical models. Chemical Physics Letters 2000; Volum 319. ISSN 0009-2614.s 595 - .
  • Ruud, Kenneth; Jonsson, Dan; Taylor, Peter R.. Vibrational effects on electric and magnetic suscpetibilities: application to the properties of the water molecule. Physical Chemistry, Chemical Physics - PCCP 2000; Volum 2. ISSN 1463-9076.s 2161 - .
  • Jonsson, Dan; Ruud, Kenneth; Taylor, Peter R.. Parallell calculations of molecular properties. Computer Physics Communications 2000; Volum 128. ISSN 0010-4655.s 412 - .
  • Coriani, Sonia; Halkier, Asger; Rizzo, Antonio; Ruud, Kenneth. On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2. Chemical Physics Letters 2000; Volum 326. ISSN 0009-2614.s 269 - .
  • Plashkevych, Oleksander; Privalov, Timofei; Ågren, Hans; Carravetta, Vincenzo; Ruud, Kenneth. On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands. Chemical Physics 2000; Volum 260. ISSN 0301-0104.s 11 - .
  • Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve; Taylor, Peter R.. Molecular Polarizabilities and Magnetizabilities. 1999 ISBN 0-444-82508-8.s 147 - 188.
  • Bakken, Vebjørn; Helgaker, Trygve Ulf; Klopper, Willem Maarten; Ruud, Kenneth. The calculation of molecular geometrical properties in the Hellmann-Feynman approximation. Molecular Physics 1999; Volum 96 (4). ISSN 0026-8976.s 653 - 671.
  • Helgaker, Trygve Ulf; Jaszunski, Michal; Ruud, Kenneth. Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants. Chemical Reviews 1999; Volum 99. ISSN 0009-2665.s 293 - 352.
  • Åstrand, P.-O.; Ruud, Kenneth; Mikkelsen, K. V.; Helgaker, Trygve Ulf. Rovibrationally averaged magnetizabilities, rotational g factor and indirect spin-spin coupling of the hydrogen fluoride molecule. Journal of Chemical Physics 1999; Volum 110. ISSN 0021-9606.
  • Mikkelsen, K. V.; Ruud, Kenneth; Helgaker, Trygve Ulf. Solvent effects on nuclear magnetic resonance parameters. Journal of Computational Chemistry 1999; Volum 20. ISSN 0192-8651.
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin-Spin Coupling Constants. Chemical Reviews 1999; Volum 99. ISSN 0009-2665.s 293 - .
  • Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Olsen, Jeppe; Jørgensen, Poul. Ab initio determinations of magnetic circular dichroism. Chemical Physics Letters 1999; Volum 300. ISSN 0009-2614.s 61 - .
  • Pedersen, Thomas B.; Koch, Henrik; Ruud, Kenneth. Coupled cluster response calculation of natural chiroptical spectra. Journal of Chemical Physics 1999; Volum 110. ISSN 0021-9606.s 2883 - .
  • Bakken, Vebjørn; Helgaker, Trygve; Klopper, wim; Ruud, Kenneth. The calculation of molecular geometrical properties in the Hellmann-Feynman approximation. Molecular Physics 1999; Volum 96. ISSN 0026-8976.s 653 - .
  • Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt V.; Helgaker, Trygve. Rovibrationally averaged magnetizability, rotational g factor, and indirect spin-spin coupling of the hydrogen fluoride molecule. Journal of Chemical Physics 1999; Volum 110. ISSN 0021-9606.s 9463 - .s doi: 10.1063/1.478912.
  • Jaszunski, Michal; Ruud, Kenneth. The magnetic properties of the à 1A2 excited state of H2CS. Chemical Physics Letters 1999; Volum 306. ISSN 0009-2614.s 64 - .
  • Ruud, Kenneth; Schimmelpfennig, Bernd; Ågren, Hans. Internal and external heavy-atom effects on phosphoresence radiative lifetimes calculated using a mean-field spin-orbit Hamiltonian. Chemical Physics Letters 1999; Volum 310. ISSN 0009-2614.s 215 - .
  • Vaara, Juha; Ruud, Kenneth; Vahtras, Olav. Correlated Response Calculations of the Spin-Orbit Interaction Contribution to Nuclear Spin-Spin Couplings. Journal of Computational Chemistry 1999; Volum 20. ISSN 0192-8651.s 1314 - .
  • Mikkelsen, Kurt V.; Ruud, Kenneth; Helgaker, Trygve. Solvent Effects on the NMR Parameters of H2S and HCN. Journal of Computational Chemistry 1999; Volum 20. ISSN 0192-8651.s 1281 - .
  • Vaara, Juha; Ruud, Kenneth; Vahtras, Olav. Second- and third-order spin-orbit contributions to nuclear shielding tensors. Journal of Chemical Physics 1999; Volum 111. ISSN 0021-9606.s 2900 - .
  • Kupka, Teobald; Kolaski, Maciej; Pasterna, Grazyna; Ruud, Kenneth. Towards more reliable prediction of formaldehyde multinuclear NMR parameters and harmonic vibrations in gas phase and solution. Journal of Molecular Structure: THEOCHEM 1999; Volum 467. ISSN 0166-1280.s 63 - 78.
  • Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve Ulf; Taylor, Paul. Molecular polarizabilities and magnetizabilities. Elsevier 1999.s 147 - 188.
  • Ruud, Kenneth; Ågren, Hans; Dahle, Pål; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Koch, Henrik; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt V.. The Cotton-Mouton effect of liquid water. Part II: The semi-continuum model. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 599 - .
  • Luo, Yi; Ruud, Kenneth; Norman, Patrick; Jonsson, Dan; Ågren, Hans. Saturation of the Optical Band Gap and Properties of Five-Membered Heteroaromatic Oligomers. Journal of Physical Chemistry B 1998; Volum 102. ISSN 1520-6106.s 1710 - .
  • Voges, K.; Sutter, Dieter H.; Ruud, Kenneth; Helgaker, Trygve. The Molecular Zeeman Effect of Norbornadiene, its g-Values, Magnetizability Anisotropies, and Molecular Quadrupole Moment; A High-Resolution Microwave Fourier-Transform Study Combined With Quantum Chemical Calculations. Zeitschrift fur Naturforschung A-A Journal of Physical Sciences 1998; Volum 53. ISSN 0932-0784.s 67 - 76.
  • Luo, Yi; Norman, Patrick; Ruud, Kenneth; Ågren, Hans. Molecular length dependence of optical properties of hydrocarbon oligomers. Chemical Physics Letters 1998; Volum 285. ISSN 0009-2614.s 160 - .
  • Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve; Dahle, Pål; Koch, Henrik; Taylor, Peter R.. The Hartree-Fock magnetizability of C60. Chemical Physics Letters 1998; Volum 285. ISSN 0009-2614.s 205 - .
  • Coriani, Sonia; Jaszunski, Michal; Rizzo, Antonio; Ruud, Kenneth. MCSCF nuclear magnetic shieldings and spin-rotation constants of (17O) in (16O)(17O)(16O) and (17O)(16O)(16O). Chemical Physics Letters 1998; Volum 287. ISSN 0009-2614.s 677 - .
  • Ruud, Kenneth; Jonsson, Dan; Norman, Patrick; Ågren, Hans; Saue, Trond; Jensen, Hans Jørgen Aa.; Dahle, Pål; Helgaker, Trygve. Generalized integral screening for efficient calculations of nonlinear optical properties of large molecules. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 7973 - .
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth; Gorska, Anna. Basis-set dependence of nuclear spin-spin coupling constants. Theoretical Chemistry accounts 1998; Volum 99. ISSN 1432-881X.s 175 - .
  • Ruud, Kenneth; Vaara, Juha; Lounila, Juhani; Helgaker, Trygve. Vibrationally averaged magnetizabilities and rotational g tensors of the water molecule. Chemical Physics Letters 1998; Volum 297. ISSN 0009-2614.s 467 - .
  • Vaara, Juha; Lounila, Juhani; Ruud, Kenneth; Helgaker, Trygve. Rovibrational effects, temperature dependence and isotope effects on the nuclear shielding tensors of water: A new 17O absolute shielding scale. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 8388 - .
  • Coriani, Sonia; Hattig, Christof; Jørgensen, Poul; Rizzo, Antonio; Ruud, Kenneth. Coupled cluster investigation of the electric-field-gradient-induced birefringence of H2, N2, C2H2, and CH4. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 7176 - .
  • Minaev, Boris; Vaara, Juha; Ruud, Kenneth; Vahtras, Olav; Ågren, Hans. Internuclear distance dependence of the spin-orbit coupling contributions to proton NMR chemical shifts. Chemical Physics Letters 1998; Volum 295. ISSN 0009-2614.s 455 - .
  • Luo, Yi; Jonsson, Dan; Norman, Patrick; Ruud, Kenneth; Vahtras, Olav; Minaev, Boris; Ågren, Hans; Rizzo, Antonio. Some Recent Developments of High-Order Response Theory. International Journal of Quantum Chemistry 1998; Volum 70. ISSN 0020-7608.s 219 - .
  • Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszunski, Michal. Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 2264 - .
  • Vaara, Juha; Ruud, Kenneth; Vahtras, Olav; Ågren, Hans; Jokisaari, Jukka. Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 1212 - .
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Full CI Calculations of Magnetic Properties of the H2 Molecule in the B1 Sigma+u State. Polish Journal of Chemistry 1998; Volum 72. ISSN 0137-5083.s 1405 - .
  • Jonsson, Dan; Norman, Patrick; Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve. Electric and magnetic properties of fullerenes. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 572 - .
  • Jonsson, Dan; Luo, Yi; Ruud, Kenneth; Norman, Patrick; Ågren, Hans. Calculations of circular intensity differences in electric-field-induced second harmonic generation. Chemical Physics Letters 1998; Volum 288. ISSN 0009-2614.s 371 - .
  • Haaland, Arne; Scherer, Wolfgang; Ruud, Kenneth; McGrady, G. Sean; Downs, Anthony J.; Swang, Ole. On The Nature and Incidence of ß-Agostic Interactions in Ethyl Derivatives of Early Transition Metals: Ethyltitanium Trichloride and Related Compounds. Journal of the American Chemical Society 1998; Volum 120. ISSN 0002-7863.s 3762 - .
  • Ruud, Kenneth; Ågren, Hans; Dahle, Pål; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Koch, Henrik; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt Valentin. The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 599 - 603.
  • Åstrand, Per-Olof; Mikkelsen, Kurt Valentin; Jørgensen, Poul; Ruud, Kenneth; Helgaker, Trygve. Solvent effects on nuclear shieldings and spin–spin couplings of hydrogen selenide. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 2528 - 2537.s doi: 10.1063/1.475656.
  • Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve; Dahle, Pål; Koch, Henrik; Taylor, Peter R.. The Hartree–Fock limit magnetizability of C60. Chemical Physics Letters 1998; Volum 285. ISSN 0009-2614.s 205 - 209.
  • Ruud, Kenneth; Jonsson, Dan; Norman, Patrick; Ågren, Hans; Saue, Trond; Jensen, Hans Jørgen Aagard; Dahle, Pål; Helgaker, Trygve. Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules. Journal of Chemical Physics 1998; Volum 108. ISSN 0021-9606.s 7973 - 7979.
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth; Gorska, Anna. Basis-set dependence of spin–spin coupling constants. Theoretical Chemistry accounts 1998; Volum 99. ISSN 1432-881X.s 175 - 182.
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Full CI calculations of magnetic properties of the H2 molecule in the B1 Sigma+u state. Polish Journal of Chemistry 1998; Volum 72. ISSN 0137-5083.s 1405 - 1410.
  • Jonsson, Dan; Norman, Patrick; Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve. The electric and magnetic properties of fullerenes. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 572 - 576.
  • Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszunski, Michal. Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 2264 - 2274.
  • Vaara, Juha; Lounila, Juhani; Ruud, Kenneth; Helgaker, Trygve. Rovibrational effects, temperature dependence, and isotope effects on the nuclear shielding tensors of water: A new 17O absolute shielding scale. Journal of Chemical Physics 1998; Volum 109. ISSN 0021-9606.s 8388 - 8397.
  • Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt Valentin; Helgaker, Trygve. Atomic charges of the water molecule and the water dimer. Journal of Physical Chemistry A 1998; Volum 102. ISSN 1089-5639.s 7686 - 7691.
  • Ruud, Kenneth; Vaara, Juha; Lounila, Juhani; Helgaker, Trygve. Vibrationally averaged magnetizabilities and rotational g tensors of the water molecule. Chemical Physics Letters 1998; Volum 297. ISSN 0009-2614.s 467 - 474.
  • Voges, K.; Sutter, Dieter H.; Ruud, Kenneth; Helgaker, Trygve. The molecular Zeeman effect of nonbornadiene, its g-values, magnetizability anisotropies, and molecular quadrupole moment; a high-resolution microwave Fourier-transform study combined with quantum chemical calculations. Zeitschrift fur Naturforschung A-A Journal of Physical Sciences 1998; Volum 53. ISSN 0932-0784.s 67 - 76.
  • Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul. The effect of correlation on molecular magnetizabilities and rotational g tensors. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 10599 - 10606.
  • Ruud, Kenneth; Helgaker, Trygve. The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited. Chemical Physics Letters 1997; Volum 264. ISSN 0009-2614.s 17 - .
  • Mikkelsen, Kurt V.; Jørgensen, Poul; Ruud, Kenneth; Helgaker, Trygve. A multipole reaction-field model for gauge-origin independent magnetic properties of solvated molecules. Journal of Chemical Physics 1997; Volum 106. ISSN 0021-9606.s 1170 - .
  • Fernandez, Berta; Christiansen, Ove; Jørgensen, Poul; Byberg, Jørgen; Gauss, Jurgen; Ruud, Kenneth. Hyperfine and nuclear quadrupole coupling in chlorine and fluorine dioxides. Journal of Chemical Physics 1997; Volum 106. ISSN 0021-9606.s 1847 - .
  • Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. Cotton-Mouton effect and shielding polarizabilities in ethylene: an MCSCF study. Chemical Physics 1997; Volum 216. ISSN 0301-0104.s 53 - .
  • Ruud, Kenneth; Helgaker, Trygve; Uggerud, Einar. Mechanisms, energetics and dynamics of a key reaction sequence during the decomposition of nitromethane: HNO + HNO -> N2O + H2O. Journal of Molecular Structure: THEOCHEM 1997; Volum 393. ISSN 0166-1280.s 59 - .
  • Ruud, Kenneth; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Mikkelsen, Kurt V.. The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 894 - .
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Ab initio calculation of the NMR shielding and indirect spin-spin coupling constants of fluoroethylene. Molecular Physics 1997; Volum 91. ISSN 0026-8976.s 881 - .
  • Lounila, Juhani; Vaara, Juha; Hiltunen, Yrjø; Pulkkinen, Anja; Jokisaari, Jukka; Ala-Korpela, Mika; Ruud, Kenneth. Isotope and temperature effects on the 13C and 77Se nuclear shielding in carbon diselenide. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 1350 - .
  • Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul. The effect of correlation on molecular magnetizabilities and rotational g tensors. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 10599 - .
  • Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. Cotton–Mouton effect and shielding polarizabilities in ethylene: an MCSCF study. Chemical Physics 1997; Volum 216. ISSN 0301-0104.s 53 - 66.
  • Ruud, Kenneth; Helgaker, Trygve. The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited. Chemical Physics Letters 1997; Volum 264. ISSN 0009-2614.s 17 - 23.
  • Mikkelsen, Kurt Valentin; Jørgensen, Poul; Ruud, Kenneth; Helgaker, Trygve. A multipole reaction-field model for gauge-origin independent magnetic properties of solvated molecules. Journal of Chemical Physics 1997; Volum 106. ISSN 0021-9606.s 1170 - 1180.
  • Ruud, Kenneth; Helgaker, Trygve; Uggerud, Einar. Mechanisms, energetics and dynamics of a key reaction sequence during the decomposition of nitromethane: HNO + HNO -> N2O + H2O. Journal of Molecular Structure: THEOCHEM 1997; Volum 393. ISSN 0166-1280.s 59 - 71.
  • Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt Valentin; Helgaker, Trygve. The magnetizability anisotropy and rotational g factor of deuterium hydride and the deuterium molecule. Chemical Physics Letters 1997; Volum 271. ISSN 0009-2614.s 163 - 166.s doi: 10.1016/S0009-2614(97)00429-6.
  • Helgaker, Trygve; Jaszunski, Michal; Ruud, Kenneth. Ab initio calculation of the NMR shielding and indirect spin–spin coupling constants in fluoroethylene. Molecular Physics 1997; Volum 91. ISSN 0026-8976.s 881 - 889.
  • Ruud, Kenneth; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Mikkelsen, Kurt Valentin. The Cotton–Mouton effect of liquid water. Part I: The dielectric continuum model. Journal of Chemical Physics 1997; Volum 107. ISSN 0021-9606.s 894 - 901.
  • Åstrand, Per-Olof; Ruud, Kenneth; Mikkelsen, Kurt Valentin; Helgaker, Trygve. Electric and magnetic properties of the nitroethene molecule. Molecular Physics 1997; Volum 92. ISSN 0026-8976.s 89 - 96.s doi: 10.1080/002689797170644.
  • Ruud, Kenneth; Åstrand, Per-Olof; Helgaker, Trygve; Mikkelsen, Kurt Valentin. Full CI calculations of the magnetizability and rotational g factor of the hydrogen molecule. Journal of Molecular Structure: THEOCHEM 1996; Volum 388. ISSN 0166-1280.s 231 - 235.s doi: 10.1016/S0166-1280(96)80036-4,.
  • Barszczewicz, Andrzej; Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Long-range effects of interatomic interactions on NMR shielding constants. Chemical Physics Letters 1996; Volum 250. ISSN 0009-2614.s 1 - .
  • Norman, Patrick; Jonsson, Dan; Ågren, Hans; Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve; Koch, Henrik. Efficient parallel implementation of response theory: calculations of the second hyperpolarizability of polyacenes. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 1 - .
  • Mikkelsen, Kurt V.; Ruud, Kenneth; Helgaker, Trygve. Magnetizability and nuclear shielding constants of solvated water. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 443 - .
  • Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4. Molecular Physics 1996; Volum 88. ISSN 0026-8976.s 931 - .
  • Braun, Peter A.; Rebane, Toomas K.; Ruud, Kenneth. Vibrational magnetism of HCN and its isotopomers using rotational London atomic orbitals. Chemical Physics 1996; Volum 208. ISSN 0301-0104.s 341 - .
  • Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Ab Initio Studies of the [AX]2 Spin Systems of cis- and trans-N2F2. Magnetic Resonance in Chemistry 1996; Volum 34. ISSN 0749-1581.s 646 - .
  • Gauss, Jurgen; Ruud, Kenneth; Helgaker, Trygve. Perturbation-dependent atomic orbitals for the calculation of spin-rotation constants and rotational g tensors. Journal of Chemical Physics 1996; Volum 105. ISSN 0021-9606.s 2804 - .
  • Bueker, Heinz-Hermann; Helgaker, Trygve; Ruud, Kenneth; Uggerud, Einar. Energetics and Dynamics of Intermolecular Proton-Transfer Processes. 2. Ab Initio Direct Dynamics Calculations of the Reaction H3O+ + NH3 -> NH4+ + H2O. Journal of Physical Chemistry 1996; Volum 100. ISSN 0022-3654.s 15388 - .
  • Barszczewicz, Andrzej; Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Long-range effects of interatomic interactions on NMR shielding constants. Chemical Physics Letters 1996; Volum 250. ISSN 0009-2614.s 1 - 8.
  • Norman, Patrick; Jonsson, Dan; Ågren, Hans; Dahle, Pål; Ruud, Kenneth; Helgaker, Trygve; Koch, Henrik. Efficient parallel implementation of response theory: calculations of the second hyperpolarizability of polyacenes. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 1 - 7.
  • Mikkelsen, Kurt Valentin; Ruud, Kenneth; Helgaker, Trygve. Magnetizability and nuclear shielding constants of solvated water. Chemical Physics Letters 1996; Volum 253. ISSN 0009-2614.s 443 - 447.
  • Coriani, Sonia; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4. Molecular Physics 1996; Volum 88. ISSN 0026-8976.s 931 - 947.
  • Gauss, Jurgen; Ruud, Kenneth; Helgaker, Trygve. Perturbation-dependent atomic orbitals for the calculation of spin–rotation constants and rotational g tensors. Journal of Chemical Physics 1996; Volum 105. ISSN 0021-9606.s 2804 - 2812.
  • Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth. Ab initio studies of the [AX]2 spin systems of cis- and trans-N2F2. Magnetic Resonance in Chemistry 1996; Volum 34. ISSN 0749-1581.s 646 - 649.
  • Bueker, Heinz-Hermann; Helgaker, Trygve; Ruud, Kenneth; Uggerud, Einar. Energetics and dynamics of intermolecular proton-transfer processes. 2. Ab initio direct dynamics calculations of the reaction H3O+ +NH3 -> NH4+ + H2O. Journal of Physical Chemistry 1996; Volum 100. ISSN 0022-3654.s 15388 - 15392.
  • Åstrand, Per-Olof; Mikkelsen, Kurt Valentin; Ruud, Kenneth; Helgaker, Trygve. Magnetizabilities and nuclear shielding constants of the fluoromethanes in gas phase and solution. Journal of Physical Chemistry 1996; Volum 100. ISSN 0022-3654.s 19771 - 19782.s doi: 10.1021/jp961701e.
  • Helgaker, Trygve; Ruud, Kenneth; Taylor, Peter R.. Second-order methods for the optimization of molecular potential energy surfaces. Kluwer Academic Publishers 1995 ISBN 0-7923-3589-9.s 109 - 136.
  • Jaszunski, Michal; Szymanski, Slawomir; Christiansen, Ove; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth. NMR properties of N3–. A comparison of theory and experiment. Chemical Physics Letters 1995; Volum 243. ISSN 0009-2614.s 144 - 150.
  • Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth; Jørgensen, Poul; Bak, Keld L.; Koch, Henrik. SCF calculations of the NMR shielding tensor for the ethylenic carbon atom in C3Cl4. Molecular Physics 1995; Volum 85. ISSN 0026-8976.s 671 - 673.
  • Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth; Barszczewicz, Andrzej; Jaszunski, Michal; Jørgensen, Poul. Electric field dependence of magnetic properties: Multiconfigurational self-consistent field calculations of hypermagnetizabilities and nuclear shielding polarizabilities of N2, C2H2, HCN, and H20. Journal of Chemical Physics 1995; Volum 102. ISSN 0021-9606.s 8953 - 8966.
  • Ruud, Kenneth; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe. Accurate magnetizabilities of the isoelectronic series BeH–, BH, and CH+. The MCSCF–GIAO approach. Chemical Physics 1995; Volum 195. ISSN 0301-0104.s 157 - 169.
  • Barszczewicz, Andrzej; Helgaker, Trygve; Jaszunski, Michal; Jørgensen, Poul; Ruud, Kenneth. NMR shielding tensors and indirect spin–spin coupling tensors in HCN, HNC, CHCN, and CH3NC molecules. Journal of Magnetic Resonance - Series A 1995; Volum 114. ISSN 1064-1858.s 212 - 218.
  • Øiestad, Elisabeth Leere; Øiestad, Åse Marit Leere; Skaane, Haakon; Ruud, Kenneth; Helgaker, Trygve; Uggerud, Einar; Vulpius, Tore. Loss of H2 from CH3NH3+, CH3OH2+ and CH3FH+. Reaction mechanisms and dynamics from observation of metastable ion fragmentations and ab initio calculations. European mass spectrometry (Print) 1995; Volum 100. ISSN 1356-1049.s 121 - 129.
  • Ruud, Kenneth; Helgaker, Trygve; Olsen, Jeppe; Jørgensen, Poul; Bak, Keld L.. A numerically stable orbital connection for the calculation of analytical Hessians using perturbation-dependent basis sets. Chemical Physics Letters 1995; Volum 235. ISSN 0009-2614.s 47 - 52.
  • Bak, Keld L.; Hansen, Aage Erik; Ruud, Kenneth; Helgaker, Trygve; Olsen, Jeppe; Jørgensen, Poul. Ab initio calculation of electronic circular dichroism for trans-cyclooctene using London atomic orbitals. Theoretical Chemistry accounts 1995; Volum 90. ISSN 1432-881X.s 441 - 458.
  • Olsen, Jeppe; Bak, Keld L.; Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul. Orbital connections for perturbation-dependent basis sets. Theoretical Chemistry accounts 1995; Volum 90. ISSN 1432-881X.s 421 - 439.
  • Helgaker, Trygve; Ruud, Kenneth; Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe. Vibrational Raman optical activity calculations using London atomic orbitals. Faraday Discussions Chemical Society 1994; Volum 99. ISSN 0301-7249.s 165 - 180.
  • Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth; Bak, Keld L.; Jørgensen, Poul. MCSCF calculations of nitrogen NMR shielding constants using London atomic orbitals. Chemical Physics Letters 1994; Volum 220. ISSN 0009-2614.s 154 - .
  • Jaszunski, Michal; Jørgensen, Poul; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of Verdet constants. Chemical Physics Letters 1994; Volum 222. ISSN 0009-2614.s 263 - .
  • Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aa.. Basis set convergence of atomic axial tensors obtained from self-consistent field calculations using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 6620 - .
  • Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika; Jørgensen, Poul; Bak, Keld L.; Jensen, Hans Jørgen Aa.. Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 8178 - .
  • Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. Theoretical calculations of the magnetizability of some small fluorine-containing molecules using London atomic orbitals. Chemical Physics Letters 1994; Volum 223. ISSN 0009-2614.s 12 - .
  • Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. An ab initio nuclear magnetic resonance spectrum of vinyllithium. Chemical Physics Letters 1994; Volum 226. ISSN 0009-2614.s 1 - .
  • 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 - .
  • Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth. Basis set convergence and correlation effects in vibrational circular dichroism calculations using London atomic orbitals. Faraday Discussions Chemical Society 1994; Volum 99. ISSN 0301-7249.s 121 - 129.
  • Ruud, Kenneth; Skaane, Haakon; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul. Magnetizability of hydrocarbons. Journal of the American Chemical Society 1994; Volum 116. ISSN 0002-7863.s 10135 - 10140.
  • Barszczewicz, Andrzej; Helgaker, Trygve; Jaszunski, Michal; Jørgensen, Poul; Ruud, Kenneth. Multiconfigurational self-consistent field calculations of nuclear magnetic resonance indirect spin–spin coupling constants. Journal of Chemical Physics 1994; Volum 101. ISSN 0021-9606.s 6822 - 6828.
  • Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. An ab initio nuclear magnetic resonance spectrum of vinyllithium. Chemical Physics Letters 1994; Volum 226. ISSN 0009-2614.s 1 - 10.
  • Ruud, Kenneth; Helgaker, Trygve; Jørgensen, Poul; Bak, Keld L.. Theoretical calculations of the magnetizability of some small fluorine-containing molecules using London atomic orbitals. Chemical Physics Letters 1994; Volum 223. ISSN 0009-2614.s 12 - 18.
  • Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika; Jørgensen, Poul; Bak, Keld L.; Jensen, Hans Jørgen Aagard. Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 8178 - 8185.
  • Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aagard. Basis set convergence of atomic axial tensors obtained from self-consistent field calculations using London atomic orbitals. Journal of Chemical Physics 1994; Volum 100. ISSN 0021-9606.s 6620 - 6627.
  • Jaszunski, Michal; Jørgensen, Poul; Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve. MCSCF calculations of Verdet constants. Chemical Physics Letters 1994; Volum 222. ISSN 0009-2614.s 263 - 266.
  • Jaszunski, Michal; Helgaker, Trygve; Ruud, Kenneth; Bak, Keld L.; Jørgensen, Poul. MCSCF calculations of nitrogen NMR shielding constants using London atomic orbitals. Chemical Physics Letters 1994; Volum 220. ISSN 0009-2614.s 154 - 160.
  • Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aagard. Gauge-origin independent multiconfigurational self-consistent-field theory for vibrational circular dichroism. Journal of Chemical Physics 1993; Volum 98. ISSN 0021-9606.s 8873 - 8887.
  • Jaszunski, Michal; Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aa.. Nuclear magnetic shielding tensor for the ethylenic carbon atom in tetrachlorocyclopropene. Chemical Physics Letters 1993; Volum 204. ISSN 0009-2614.s 608 - .
  • Bak, Keld L.; Jørgensen, Poul; Helgaker, Trygve; Ruud, Kenneth; Jensen, Hans Jørgen Aa.. Gauge-origin independent multiconfigurational self-consistent-field theory for vibrational circular dichroism. Journal of Chemical Physics 1993; Volum 98. ISSN 0021-9606.s 8873 - .
  • Ruud, Kenneth; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul; Jensen, Hans Jørgen Aa.. Hartree-Fock limit magnetizabilities from London orbitals. Journal of Chemical Physics 1993; Volum 99. ISSN 0021-9606.s 3847 - .
  • 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.
  • Ruud, Kenneth; Helgaker, Trygve; Bak, Keld L.; Jørgensen, Poul; Jensen, Hans Jørgen Aagard. Hartree–Fock limit magnetizabilities from London orbitals. Journal of Chemical Physics 1993; Volum 99. ISSN 0021-9606.s 3847 - 3859.
  • Jaszunski, Michal; Jensen, Hans Jørgen Aagard; Jørgensen, Poul; Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth. The magnetic hyperpolarizability anisotropy of the neon atom. Chemical Physics Letters 1992; Volum 191. ISSN 0009-2614.s 599 - 602.
  • Jaszunski, Michal; Jensen, Hans Jørgen Aa.; Jørgensen, Poul; Rizzo, Antonio; Helgaker, Trygve; Ruud, Kenneth. The magnetic hyperpolarizability anisotropy of the neon atom. Chemical Physics Letters 1992; Volum 191. ISSN 0009-2614.s 599 - .
  • Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. A general, recursive open-ended response code: High-order SCF level properties. VALCA 2013 2013-06-09 - 2013-06-12 2013.
  • Ringholm, Magnus; Ruud, Kenneth. Recursive calculation of high-order molecular response properties. 2013 ISBN 978-82-8236-114-9.
  • Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Four-component relativistic calculations of NMR shielding tensors for paramagnetic systems. DiracMeeting 2013 2013-07-04 - 2013.
  • Komorovsky, Stanislav; Malkin, Elena; Repisky, Michal; Ruud, Kenneth. Redefining the absolute shielding scale of (not only) tin compounds. CTCC meeting 2013-01-31 - 2013.
  • Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Four-component relativistic calculations of NMR shielding tensors for paramagnetic systems. EURACT NMR workshop 2013-07-18 - 2013.
  • Brandsdal, Bjørn Olav; Ruud, Kenneth; Beerepoot, Maarten; Steindal, Arnfinn Hykkerud. Datamodellering i kjemi og biologi, en selvmotsigelse?. Nordlys 2013. ISSN 0805-5440.s 43 - 43.
  • Beerepoot, Maarten; Brandsdal, Bjørn Olav; Ruud, Kenneth; Steindal, Arnfinn Hykkerud. Nobelprisen i kjemi 2013. Kjemi 2013; Volum 73 (6). ISSN 0023-1983.s 18 - 20.
  • Chamberlin, Adam; Bast, Radovan; Ruud, Kenneth. Identifying relativistic effects on (hyper)polarizabilities. Abstract of Papers of the American Chemical Society 2012; Volum 244. ISSN 0065-7727.
  • Chakrabarti, S; Ruud, Kenneth. Intermolecular Interaction-Controlled Tuning of the Two-Photon Absorption of Fullerene Bound in a Buckycatcher. Journal of Physical Chemistry A 2009; Volum 113 (19). ISSN 1089-5639.s 5485 - 5488.s doi: 10.1021/jp902071j.
  • Ruud, Kenneth. Teoretisk kjemi: En selvmotsigelse?. Academia Borealis medlemsmøte 2008-05-29 - 2008-05-29 2008.
  • Solheim, Harald; Ruud, Kenneth; Coriani, Sonia; Norman, Patrick. The A and B terms of magnetic circular dichroism revisited. Journal of Physical Chemistry A 2008; Volum 112 (40). ISSN 1089-5639.s 9615 - 9618.s doi: 10.1021/jp803135x.
  • Ruud, Kenneth. Back to the future: Designing Quantum Chemistry Programs by divide and conquer. COST D37 meeting 2008-12-18 - 2008-12-20 2008.
  • Ruud, Kenneth. Fremragende publisering og formidling. Muninseminaret 2008 2008-11-28 - 2008-11-28 2008.
  • Ruud, Kenneth. Analytical calculations of nonlinear chiroptical properties and birefringences. South-eastern regional meeting of the American Chemical Society 2008-11-12 - 2008-11-15 2008.
  • Ruud, Kenneth; Thorvaldsen, Andreas johan; Bast, Radovan. A General Response Theory Framework for Calculating Higher-Order Molecular Properties. Conference of the World Association of Theoretical and Computational Chemistry 2008-09-15 - 2008-09-19 2008.
  • Ruud, Kenneth. Analytical calculations of ROA spectra for Hartree-Fock and DFT. First International Conference on Vibrational Optical Activity 2008-08-26 - 2008-08-29 2008.
  • Ruud, Kenneth. Molecular properties: Where theory and experiment play together. Opening of the Amsterdam Centre for Multiscale Modeling 2008-06-26 - 2008-06-26 2008.
  • Ruud, Kenneth. Calculating higher-order mixed electric, magnetic and vibrational properties. Young Chemist's Workshop on "Modeling of complex systems" 2008-05-01 - 2008-05-04 2008.
  • Ruud, Kenneth. Calculating higher-order mixed electric, magnetic and vibrational properties. Group seminar 2008-04-24 - 2008-04-24 2008.
  • Ruud, Kenneth. Theoretical calculations of Raman spectroscopy coming of age. Group seminar 2008-04-03 - 2008-04-03 2008.
  • Ruud, Kenneth. Introduksjon til Dr. Atomic av John Adams . Visning av operaen Dr.Atomic 2008-11-09 - 2008-11-09 2008.
  • Ruud, Kenneth. Kjemi på datamaskinen. Bladet Tromsø 2007.s 16 - 17.
  • Ruud, Kenneth. Solvent effects on molecular properties. NANOQUANT avslutningsmøte 2007-03-16 - 2007.
  • Ruud, Kenneth. Theoretical modelling of nonlinear optical properties. Nanomatkonferansen 2007 2007-06-06 - 2007.
  • Ruud, Kenneth. Solvent effects on chiroptical properties. American Chemical Society meeting Spring 2007 2007-03-25 - 2007.
  • Ruud, Kenneth. A new future for finite-element methods? Multiresolution analysis in quantum chemistry. Gjesteforelesning, Universitetet i Trieste 2007-05-09 - 2007.
  • Ruud, Kenneth. Modelling of nonlinear optical properties of solvated molecules. Gjesteforelesning, Universitetet i Perugia 2007-07-04 - 2007.
  • Ruud, Kenneth. A general scheme for higher-order SCF responses. Workshop i forbindelse med dotorgradsdisputas 2007-10-01 - 2007.
  • Ruud, Kenneth. A general scheme for higher-order SCF responses. Quantum Systems in Physics and Chemistry XII 2007-09-03 - 2007.
  • Ruud, Kenneth. Accurate calculations of magnetizabilities and rotational g tensors. Norwegian Theoretical Chemistry: From molecules to nanostructures 2007-11-08 - 2007-11-11 2007.
  • Ruud, Kenneth. Network of National CoEs in Computational Chemistry. NordForsk kick-off meeting 2007-10-10 - 2007-10-11 2007.
  • Ruud, Kenneth. Vibrational corrections to molecular properties. Gjesteforelesning, Beijing University 2007-11-15 - 2007-11-15 2007.
  • Ruud, Kenneth. A general scheme for higher-order SCF responses. China-Nordic Workshop on Quantum Chemistry 2007-11-19 - 2007-11-23 2007.
  • Ruud, Kenneth. eScience trends and infrastructure in Norway, computational chemistry in Norway and the Nordic countries. KTH Scientic Computing 2007-12-06 - 2007.
  • Ruud, Kenneth. Magnetic properties and vibrational corrections. China-Nordic Workshop on Quantum Chemistry 2007-11-19 - 2007-11-23 2007.
  • Ruud, Kenneth. stallo.uit.no: Enabling quantum leaps in quantum chemistry. High-Performance Computing in the Arctic 07 (HPCiA07) 2007-12-10 - 2007.
  • Ruud, Kenneth. A new future for finite-element methods in Quantum Chemistry?. Norwegian eScience Meeting 2007 2007-02-28 - 2007.
  • Ruud, Kenneth. Kjemi uten søl. Matematisk modellering i kjemi. Møte for kjemiolympiadekandidater 2007-03-01 - 2007.
  • Ruud, Kenneth. Velkommen til kjemi! Kjemistudier ved UiT. Møte for kjemiolympiadekandidater 2007-03-01 - 2007.
  • Ruud, Kenneth. Fremtidens forskningsmetode: tungregning. Tungregnedagen ved UiT 2007-09-16 - 2007.
  • Ruud, Kenneth. Nanovitenskap og nanoteknologi: Muligheter for helsevesenet. UNN Ledermøte 2007-09-28 - 2007.
  • Manninen, Pekka; Ruud, Kenneth; Lantto, Pertu; Vaara, Juha. Erratum: "Leading-order relativistic effects on nuclear magnetic resonance shielding tensors" [J.Chem.Phys. 122, 114107 (2005)]. Journal of Chemical Physics 2006; Volum 124. ISSN 0021-9606.
  • Ruud, Kenneth. Computational Chemistry in Norway. Meta 2006 (2). ISSN 1890-1956.s 10 - 12.
  • Ruud, Kenneth. Solvent effects on electric and magnetic properties. C4 Seminar serie 2006-12-14 - 2006.
  • Ruud, Kenneth. Multiresolution Analysis in Quantum Chemistry. Gruppeseminar 2006-12-07 - 2006.
  • Ruud, Kenneth. The Dalton program system. COST D37 workshop 2006-12-01 - 2006-12-02 2006.
  • Ruud, Kenneth. Dalton: Functionality and interfaces. COST D37-DeciQ møte 2006-12-01 - 2006-12-02 2006.
  • Ruud, Kenneth. Why are ab initio calculations of ROA spectra so expensive?. Instituttkollokvium 2006-10-09 - 2006.
  • Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Gruppeseminar, University of Waterloo 2006-05-03 - 2006-05-03 2006.
  • Ruud, Kenneth. HPC Challenges in Quantum Chemistry. NOTUR2006 2006-05-11 - 2006-05-12 2006.
  • Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus. Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine. ICQC 2006 2006-05-21 - 2006-05-26 2006.
  • Gauss, Jurgen; Kallay, Mihaly; Ruud, Kenneth. Gauge-origin independent CC calculations of magnetizabilities and rotational g tensors. Chemical Accuracy and Beyond, ICQC Sattelite meeting 2006-05-17 - 2006-05-19 2006.
  • Ruud, Kenneth. Store muligheter i en liten verden: Nanovitenskap og nanoteknologi. Fagdag ved Tromsdalen vgs 2006-11-30 - 2006.
  • Ruud, Kenneth. Kjemi på datamaskinen. Instituttkollokvium 2006-11-09 - 2006.
  • Ruud, Kenneth. Nanovitenskap og nanoteknologi: Store muligheter i en liten verden. Nettverkskonferanse for næringshagene i Norge 2006-11-01 - 2006.
  • Ruud, Kenneth. Kjemi uten søl: Matematisk modellering i kjemi. Populærvitenskaplig forelesningserie 2006-10-27 - 2006.
  • Ruud, Kenneth. Store muligheter i en liten verden - om nanovitenskap. Årsfest for Universitetet i Tromsø 2005-09-23 - 2005.
  • Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Gruppeseminar, KTH 2005-10-13 - 2005-10-13 2005.
  • Ruud, Kenneth. Computational challenges in calculating higher-order vibrational properties. International Conference on Computational Methods in Science and Engineering 2005-10-21 - 2005-10-26 2005.
  • Ruud, Kenneth. HPC Challenges in Quantum Chemistry. SNIC interaction 2005-10-18 - 2005-10-19 2005.
  • Ruud, Kenneth. The calculation of spectroscopic properties using the Dalton program. Instituttkollokvium 2005-09-07 - 2005.
  • Ruud, Kenneth. The ab initio calculation of Raman optical activity. Workshop on Modeling Interactions in Biomolecules II 2005-09-05 - 2005-09-09 2005.
  • Ruud, Kenneth. Toward the ab initio calculation of Raman Optical Activity Spectra. 10th International Conference on Circular Dichroism 2005-08-21 - 2005-08-25 2005.
  • Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties of large molecules. Instituttseminar 2005-08-03 - 2005-08-03 2005.
  • Ruud, Kenneth. Continuum models for the study of magnetic properties of solvated molecules. Relativistic Effects in Heavy Elements (REHE) 2005 2005-04-06 - 2005-04-10 2005.
  • Ruud, Kenneth. Toward chiroptical properties of large molecules: Some recent results. COST D26, Working group 0010-02 meeting 2005-04-01 - 2005-04-02 2005.
  • Ruud, Kenneth. Toward chiroptical properties of large molecules. Gruppeseminar 2005-04-13 - 2005-04-13 2005.
  • Ruud, Kenneth. Toward the ab initio calculation of chiroptical properties for large molecules. Instituttkollokvium 2005-02-03 - 2005-02-03 2005.
  • Ruud, Kenneth. Tungregning i forskningsfronten. Supercomputerdagen 2005 2005-09-30 - 2005.
  • Ruud, K; Kerty, Emilia. En sykehistorie-riktig diagnose er stilt bare ved autopsy.. Norsk Nevrologisk Forening 2004.
  • Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Instituttkollokvium, Universitetet i Bonn, Tysland 2004-12-13 - 2004-12-13 2004.
  • Ruud, Kenneth. Ab inito calculations of electric and magnetic properties: The Dalton Approach. Linear and Non-Linear Responses of Matter to Electromagnetic Field Perturbations 2004-10-16 - 2004-10-16 2004.
  • Ruud, Kenneth. Can chiroptical properties be reliably calculated using theoretical methods?. 228th American Chemical Society Meeting 2004-08-22 - 2004-08-26 2004.
  • Ruud, Kenneth. Relativistic effects on nuclear shielding tensors. Seminar in Theoretical Chemistry 2004-08-05 - 2004-08-05 2004.
  • Ruud, Kenneth. Future HPC challenges in computational chemistry. NOTUR 2004 2004-06-09 - 2004-06-11 2004.
  • Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Molecular Modelling Meeting 2004-05-26 - 2004-05-28 2004.
  • Ruud, Kenneth. Solvent effects on magnetic properties using the polarizable continuum model. Response Theory and Molecular Properties 2004-05-05 - 2004-05-08 2004.
  • Ruud, Kenneth. Atomic charges and atomic dipole moments: is generalized atomic polar tensors the way to go?. Minisymposium on "Structure and properties of atoms and molecules: some recent developments" 2004-04-19 - 2004-04-19 2004.
  • Thorvaldsen, Andreas Johan; Ruud, Kenneth. Another strategy for first order HF and KS-DFT density matrix optimization. Molecular Quantum Mechanics - the no-nonsense path to progress 2004-07-24 - 2004-07-29 2004.
  • Loboda, Oleksander; Minaev, Boris; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth. Solvent effects on zero-field splitting (ZFS) parameters from MCSCF-PCM calculations. Electron Correlation: Ab initio Methods and Density Functional Theory 2003-07-16 - 2003-07-19 2003.
  • Ruud, Kenneth. Safe Sex, Dry Feet and Good Beer. Kjemi 2003 (9). ISSN 0023-1983.s 20 - .
  • Ruud, Kenneth. DFT studies of electronic and vibrational optical activity. Workshop on Density Functional Theory, Present and Future Challenges 2003-04-23 - 2003-04-25 2003.
  • Solheim, Harald; Ruud, Kenneth; Åstrand, Per-Olof. Atomic charges and dipole moments calculated from dipole and quadrupole gradients. A Coastal Voyage in Quantum Chemistry 2003-09-18 - 2003-09-21 2003.
  • Ruud, Kenneth. Magnetic properties of closed-shell molecules. 1998.



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