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Physical Chemistry Chemical Physics : PCCP|June 7, 2016
NMR absolute shielding scale and nuclear magnetic dipole moment of (207)PbBożena Adrjan, Włodzimierz Makulski, Karol Jackowski, et al.Journal of Chemical Theory and Computation|December 2, 2015
Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic EffectsZilvinas Rinkevicius, Katia Julia de Almeida, Cornel I Oprea, et al.Journal of the American Chemical Society|March 14, 2002
Relativistic spin-orbit coupling effects on secondary isotope shifts of (13)C nuclear shielding in CX(2) (X = O, S, Se, Te)Perttu Lantto, Juha Vaara, Anu M Kantola, et al.Journal of Chemical Theory and Computation|November 19, 2015
Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham EquationMichal Repisky, Lukas Konecny, Marius Kadek, et al.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|April 20, 2005
The quadrupole moment of the 3/2+ nuclear ground state of 197Au from electric field gradient relativistic coupled cluster and density-functional theory of small molecules and the solid statePeter Schwerdtfeger, Radovan Bast, Michael C L Gerry, et al.Physical Chemistry Chemical Physics : PCCP|January 30, 2020
On the photophysical properties of IrIII, PtII, and PdII (phenylpyrazole) (phenyldipyrrin) complexesJelena Föller, Daniel H Friese, Stefan Riese, et al.Organic & Biomolecular Chemistry|January 15, 2016
Solvatofluorochromic, non-centrosymmetric π-expanded diketopyrrolopyrroleMarek Grzybowski, Artur Jeżewski, Irena Deperasińska, et al.The Journal of Chemical Physics|June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systemsJógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.The Journal of Physical Chemistry. A|February 2, 2011
Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methodsKarina Kornobis, Neeraj Kumar, Bryan M Wong, et al.Pageof 19