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The Journal of Chemical Physics|July 23, 2004
Atomic dipole moments calculated using analytical molecular second-moment gradientsHarald Solheim, Kenneth Ruud, Per-Olof Astrand
The Journal of Chemical Physics|March 12, 2008
Complex polarization propagator calculations of magnetic circular dichroism spectraHarald Solheim, Kenneth Ruud, Sonia Coriani, et al.
The Journal of Physical Chemistry. A|September 5, 2008
The A and B terms of magnetic circular dichroism revisitedHarald Solheim, Kenneth Ruud, Sonia Coriani, et al.
The Journal of Physical Chemistry. B|December 22, 2010
Electronically excited states of vitamin B12 and methylcobalamin: theoretical analysis of absorption, CD, and MCD dataHarald Solheim, Karina Kornobis, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation|November 21, 2015
First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of BiphenyleneNa Lin, Harald Solheim, Xian Zhao, et al.
The Journal of Chemical Physics|August 7, 2009
Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilitiesHans S Smalø, Per-Olof Astrand, Lasse Jensen
Journal of Computational Chemistry|April 28, 2007
Validation of critical points in the electron density as descriptors by building quantitative structure-property relationships for the atomic polar tensorBård Buttingsrud, Bjørn K Alsberg, Per-Olof Astrand
Physical Chemistry Chemical Physics : PCCP|May 10, 2007
Quantitative prediction of the absorption maxima of azobenzene dyes from bond lengths and critical points in the electron densityBård Buttingsrud, Bjørn K Alsberg, Per-Olof Astrand
Physical Chemistry Chemical Physics : PCCP|February 9, 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chiralityNa Lin, Harald Solheim, Kenneth Ruud, et al.
The Journal of Chemical Physics|October 30, 2004
Solvent effects on the n-->pi* electronic transition in formaldehyde: a combined coupled cluster/molecular dynamics studyJacob Kongsted, Anders Osted, Kurt V Mikkelsen, et al.
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