Showing results (31-40 of 58) with videos related to
Sort By:
Pageof 6
The Journal of Physical Chemistry. A|January 29, 2015
Generalized valence bond description of chalcogen-nitrogen compounds. II. NO, F(NO), and H(NO)Tyler Y Takeshita, Thom H DunningThe Journal of Chemical Physics|February 12, 2015
An efficient approach to ab initio Monte Carlo simulationJeff Leiding, Joshua D CoeThe Journal of Chemical Physics|May 9, 2016
Reactive Monte Carlo sampling with an ab initio potentialJeff Leiding, Joshua D CoeThe Journal of Chemical Physics|July 23, 2005
The electronic structure of vanadium carbide, VCApostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|July 23, 2005
First principles investigation of chromium carbide, CrCApostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|May 6, 2006
Ab initio study of the electronic structure of manganese carbideApostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|July 23, 2004
On symmetry breaking in BNB: real or artifactual?Apostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|December 3, 2008
The electronic structure of the two lowest states of CuCApostolos Kalemos, Thom H Dunning, Aristides MavridisThe Journal of Chemical Physics|October 10, 2015
A generalized force-modified potential energy surface for mechanochemical simulationsGopinath Subramanian, Nithin Mathew, Jeff LeidingThe Journal of Physical Chemistry. A|April 13, 2016
Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen AtomsBeth A Lindquist, Tyler Y Takeshita, Thom H DunningPageof 6