Showing results (71-80 of 263) with videos related to
Sort By:
Pageof 27
The Journal of Physical Chemistry. A|September 27, 2022
General, Rigorous Approach for the Treatment of Interfragment Covalent BondsBryce M Westheimer, Mark S GordonThe Journal of Chemical Physics|March 5, 2014
Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structureMarcel Nooijen, Ondřej Demel, Dipayan Datta, et al.The Journal of Physical Chemistry. A|September 10, 2019
Many-Body Dispersion in Molecular ClustersMelisa Alkan, Peng Xu, Mark S GordonThe Journal of Physical Chemistry. A|May 1, 2008
Ab initio molecular orbital study on the Ge-, Sn-, Zr- and Si/Ge-mixed silsesquioxanesTakako Kudo, Mitsutoshi Akasaka, Mark S GordonThe Journal of Physical Chemistry. A|May 27, 2021
Multiple Bonding in Rhodium Monoboride. Quasi-atomic Analyses of the Ground and Low-Lying Excited StatesGeorge Schoendorff, Klaus Ruedenberg, Mark S GordonJournal of Chemical Theory and Computation|November 19, 2015
The R(-7) Dispersion Interaction in the General Effective Fragment Potential MethodPeng Xu, Federico Zahariev, Mark S GordonThe Journal of Physical Chemistry. A|February 17, 2006
Dissociation potential curves of low-lying states in transition metal hydrides. 3. Hydrides of groups 6 and 7Shiro Koseki, Takeshi Matsushita, Mark S GordonThe Journal of Physical Chemistry. A|March 15, 2011
Ab initio molecular dynamics study of H2 formation inside POSS compoundsTakako Kudo, Tetsuya Taketsugu, Mark S GordonThe Journal of Physical Chemistry. A|August 1, 2019
An Accurate Quantum-Based Approach to Explicit Solvent Effects: Interfacing the General Effective Fragment Potential Method with Ab Initio Electronic Structure TheoryTosaporn Sattasathuchana, Peng Xu, Mark S GordonPageof 27