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Chemistry (Weinheim an Der Bergstrasse, Germany)|October 30, 2015
Pyrrolo[3,2-b]pyrroles-From Unprecedented Solvatofluorochromism to Two-Photon AbsorptionDaniel H Friese, Alexander Mikhaylov, Maciej Krzeszewski, et al.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 SaueThe Journal of Chemical Physics|September 7, 2015
Note: Derivation of two-photon circular dichroism--Addendum to "Two-photon circular dichroism" [J. Chem. Phys. 62, 1006 (1975)]Daniel H FrieseJournal of Chemical Theory and Computation|May 19, 2021
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding ModelKaren Oda Hjorth Minde Dundas, Maarten T P Beerepoot, Magnus Ringholm, et al.Physical Chemistry Chemical Physics : PCCP|March 11, 2017
On the calculation of second-order magnetic properties using subsystem approaches in a relativistic frameworkMałgorzata Olejniczak, Radovan Bast, André Severo Pereira GomesThe 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.The Journal of Chemical Physics|January 14, 2012
A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basisMałgorzata Olejniczak, Radovan Bast, Trond Saue, et al.Physical Chemistry Chemical Physics : PCCP|November 15, 2011
4-Component relativistic magnetically induced current density using London atomic orbitalsDavid Sulzer, Małgorzata Olejniczak, Radovan Bast, et al.The Journal of Physical Chemistry. A|November 21, 2014
Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po)Roberto Di Remigio, Radovan Bast, Luca Frediani, et al.Physical Chemistry Chemical Physics : PCCP|January 10, 2014
Optical rotation calculations on large molecules using the approximate coupled cluster model CC2 and the resolution-of-the-identity approximationDaniel H Friese, Christof HättigPageof 19