Showing results (81-90 of 247) with videos related to
Sort By:
Pageof 25
The Journal of Physical Chemistry. A|March 21, 2015
Combined fragment molecular orbital cluster in molecule approach to massively parallel electron correlation calculations for large systemsAlexander D Findlater, Federico Zahariev, Mark S GordonThe Journal of Physical Chemistry. A|November 10, 2017
Dispersion Interactions in QM/EFPLyudmila V Slipchenko, Mark S Gordon, Klaus RuedenbergThe Journal of Physical Chemistry. A|May 15, 2008
Modeling pi-pi interactions with the effective fragment potential method: the benzene dimer and substituentsToni Smith, Lyudmila V Slipchenko, Mark S GordonThe Journal of Physical Chemistry. A|November 20, 2012
Anharmonicity of weakly bound Li(+)-(H2)n (n = 1-3) complexesNuwan De Silva, Bosiljka Njegic, Mark S GordonThe Journal of Physical Chemistry. A|January 9, 2016
Derivation and Implementation of the Gradient of the R(-7) Dispersion Interaction in the Effective Fragment Potential MethodEmilie B Guidez, Peng Xu, Mark S GordonThe Journal of Chemical Physics|November 30, 2006
Gradients of the polarization energy in the effective fragment potential methodHui Li, Heather M Netzloff, Mark S GordonThe Journal of Physical Chemistry. B|June 15, 2013
Excited-state hydrogen atom transfer reaction in solvated 7-hydroxy-4-methylcoumarinNuwan De Silva, Noriyuki Minezawa, Mark S GordonPhysical Chemistry Chemical Physics : PCCP|July 31, 2019
Ionic liquids from a fragmented perspectiveJustin A Conrad, Shinae Kim, Mark S GordonJournal of Chemical Theory and Computation|April 3, 2023
Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum FunctionsBuu Q Pham, Melisa Alkan, Mark S GordonThe Journal of Physical Chemistry. A|March 31, 2011
Anharmonicity of weakly bound M(+)-H2 complexesNuwan De Silva, Bosiljka Njegic, Mark S GordonPageof 25