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The Journal of Physical Chemistry. B|March 12, 2011
Excitation energies in solution: the fully polarizable QM/MM/PCM methodArnfinn Hykkerud Steindal, Kenneth Ruud, Luca Frediani, et al.
Journal of Chemical Theory and Computation|November 29, 2018
Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium CatalystsPankaj L Bora, Jan Novotný, Kenneth Ruud, et al.
The Journal of Chemical Physics|November 2, 2015
Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I)Taye B Demissie, Michał Jaszuński, Stanislav Komorovsky, et al.
ACS Omega|August 29, 2019
Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}7 ComplexesTaye B Demissie, Jeanet Conradie, Hugo Vazquez-Lima, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 29, 2011
Differences in two-photon and one-photon absorption profiles induced by vibronic coupling: the case of dioxaborine heterocyclic dyeNa Lin, Yi Luo, Kenneth Ruud, et al.
The Journal of Physical Chemistry. B|April 28, 2010
Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophanMaxime Guillaume, Kenneth Ruud, Antonio Rizzo, et al.
The Journal of Chemical Physics|June 25, 2010
Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approachN Arul Murugan, Prakash Chandra Jha, Z Rinkevicius, et al.
Magnetic Resonance in Chemistry : MRC|January 27, 2009
Spatial structure and NMR spectra of strained [2.2.2]cyclophanesHelena Dodziuk, Maciej Ostrowski, Kenneth Ruud, et al.
The Journal of Chemical Physics|January 26, 2007
Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics modelsJacob Kongsted, Christian B Nielsen, Kurt V Mikkelsen, et al.
The Journal of Physical Chemistry. A|September 18, 2009
Determination of molecular structure of bisphenylene homologues of BINOL-based phosphoramidites by chiroptical methodsOndrej Julínek, Vladimír Setnicka, Natalia Miklásová, et al.
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