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Chirality|September 25, 2012
Efficient calculation of ROA tensors with analytical gradients and fragmentationAndreas J Thorvaldsen, Bin Gao, Kenneth Ruud, et al.Physical Chemistry Chemical Physics : PCCP|March 24, 2009
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)Andreas J Thorvaldsen, Lara Ferrighi, Kenneth Ruud, et al.The Journal of Physical Chemistry. B|March 23, 2011
Explicit versus implicit solvent modeling of Raman optical activity spectraKathrin H Hopmann, Kenneth Ruud, Magdalena Pecul, et al.Magnetic Resonance in Chemistry : MRC|April 28, 2012
Structure and NMR spectra of cyclophanes with unsaturated bridges (cyclophenes)Helena Dodziuk, Taye Beyene Demissie, Kenneth Ruud, et al.Physical Chemistry Chemical Physics : PCCP|May 16, 2023
Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?Karolina Di Remigio Eikås, Monika Krupová, Tone Kristoffersen, et al.Physical Chemistry Chemical Physics : PCCP|April 19, 2016
Magnetic properties with multiwavelets and DFT: the complete basis set limit achievedStig Rune Jensen, Tor Flå, Dan Jonsson, et al.Physical Chemistry Chemical Physics : PCCP|September 8, 2015
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approachesJan Vícha, Jan Novotný, Michal Straka, et al.Journal of Chemical Theory and Computation|June 1, 2018
Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption StrengthsMaarten T P Beerepoot, Md Mehboob Alam, Joanna Bednarska, et al.The Journal of Chemical Physics|October 17, 2009
Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculationsOla B Lutnaes, Andrew M Teale, Trygve Helgaker, et al.Physical Chemistry Chemical Physics : PCCP|May 29, 2009
TDDFT diagnostic testing and functional assessment for triazene chromophoresMichael J G Peach, C Ruth Le Sueur, Kenneth Ruud, et al.Pageof 19