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The Journal of Physical Chemistry. A|January 12, 2011
Electron affinity of Al13: a correlated electronic structure studyQuentin A Smith, Mark S GordonThe Journal of Physical Chemistry. A|September 1, 2011
Effective fragment potential study of the interaction of DNA basesQuentin A Smith, Mark S Gordon, Lyudmila V SlipchenkoThe Journal of Physical Chemistry. A|April 21, 2011
Benzene-pyridine interactions predicted by the effective fragment potential methodQuentin A Smith, Mark S Gordon, Lyudmila V SlipchenkoThe Journal of Chemical Physics|July 5, 2012
The dispersion interaction between quantum mechanics and effective fragment potential moleculesQuentin A Smith, Klaus Ruedenberg, Mark S Gordon, et al.Annual Review of Physical Chemistry|April 9, 2013
Accurate first principles model potentials for intermolecular interactionsMark S Gordon, Quentin A Smith, Peng Xu, et al.Journal of Chemical Theory and Computation|October 26, 2021
Electronic Structure Theory Calculations Using Modern Architectures: KNL vs HaswellTaylor Harville, Mark S GordonThe Journal of Physical Chemistry. A|August 25, 2006
Methanol-water mixtures: a microsolvation study using the effective fragment potential methodIvana Adamovic, Mark S GordonThe Journal of Chemical Physics|December 3, 2008
Reaction mechanism of the direct gas phase synthesis of H(2)O(2) catalyzed by Au(3)Bosiljka Njegic, Mark S GordonThe Journal of Chemical Physics|December 3, 2008
Predicting accurate vibrational frequencies for highly anharmonic systemsBosiljka Njegic, Mark S GordonJournal of Chemical Theory and Computation|October 25, 2023
Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP DirectivesDipayan Datta, Mark S GordonPageof 25