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Physical Chemistry Chemical Physics : PCCP|May 25, 2016
Nuclear size effects in vibrational spectraAdel Almoukhalalati, Avijit Shee, Trond Saue
The Journal of Chemical Physics|September 1, 2006
Parity nonconservation contribution to the nuclear magnetic resonance shielding constants of chiral molecules: a four-component relativistic studyRadovan Bast, Peter Schwerdtfeger, Trond Saue
The Journal of Chemical Physics|November 17, 2016
Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit couplingAvijit Shee, Lucas Visscher, Trond Saue
Journal of Chemical Theory and Computation|March 16, 2016
Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted PorphyrinsThomas Fransson, Trond Saue, Patrick Norman
The Journal of Chemical Physics|November 1, 2022
4-component relativistic Hamiltonian with effective QED potentials for molecular calculationsAyaki Sunaga, Maen Salman, Trond Saue
The Journal of Chemical Physics|January 7, 2009
Dipole allowed transitions in GdF: A four-component relativistic general open-shell configuration interaction studyShigeyoshi Yamamoto, Hiroshi Tatewaki, Trond Saue
Physical Chemistry Chemical Physics : PCCP|April 1, 2015
A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimersAvijit Shee, Stefan Knecht, Trond Saue
Organic & Biomolecular Chemistry|July 13, 2005
Recent experimental and theoretical developments towards the observation of parity violation (PV) effects in molecules by spectroscopyJeanne Crassous, Christian Chardonnet, Trond Saue, et al.
The Journal of Chemical Physics|February 8, 2006
The frequency-dependent dipole polarizability of the mercury dimer from four-component relativistic density-functional theoryNicola Gaston, Peter Schwerdtfeger, Trond Saue, et al.
The Journal of Chemical Physics|January 22, 2009
Role of noncollinear magnetization for the first-order electric-dipole hyperpolarizability at the four-component Kohn-Sham density functional theory levelRadovan Bast, Trond Saue, Johan Henriksson, et al.
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