Showing results (91-100 of 163) with videos related to
Sort By:
Pageof 17
Physical Chemistry Chemical Physics : PCCP|November 11, 2010
Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic moleculesXing Chen, Zilvinas Rinkevicius, Zexing Cao, et al.Physical Chemistry Chemical Physics : PCCP|December 15, 2020
Behind the scenes of spin-forbidden decay pathways in transition metal complexesTorsha Moitra, Pijush Karak, Sayantani Chakraborty, et al.The Journal of Physical Chemistry. A|January 17, 2015
Polarizable density embedding: a new QM/QM/MM-based computational strategyJógvan Magnus Haugaard Olsen, Casper Steinmann, Kenneth Ruud, et al.Physical Chemistry Chemical Physics : PCCP|August 14, 2015
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrixMarius Kadek, Lukas Konecny, Bin Gao, et al.Angewandte Chemie (International Ed. in English)|August 12, 2016
Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction MechanismTaye B Demissie, Brady D Garabato, Kenneth Ruud, et al.Journal of Computational Chemistry|December 30, 2003
New developments in the symmetry-adapted algorithm of the Polarizable Continuum ModelLuca Frediani, Roberto Cammi, Christian S Pomelli, et al.The Journal of Chemical Physics|July 23, 2005
Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit correctionsCorneliu I Oprea, Zilvinas Rinkevicius, Olav Vahtras, et al.Physical Chemistry Chemical Physics : PCCP|March 18, 2009
Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringenceDmitry Shcherbin, Andreas J Thorvaldsen, Kenneth Ruud, et al.The Journal of Chemical Physics|December 10, 2008
A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis setsAndreas J Thorvaldsen, Kenneth Ruud, Kasper Kristensen, et al.Journal of Chemical Theory and Computation|March 31, 2015
Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix ElementsDaniel H Friese, Maarten T P Beerepoot, Magnus Ringholm, et al.Pageof 17