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Mark S Gordon

Showing results (171-180 of 258) with videos related to

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The Journal of Chemical Physics|February 16, 2015
Model space diabatization for quantum photochemistryShaohong L Li, Donald G Truhlar, Michael W Schmidt, et al.
The Journal of Physical Chemistry. A|January 26, 2007
Pentazole-based energetic ionic liquids: a computational studyIan S O Pimienta, Sherrie Elzey, Jerry A Boatz, et al.
Journal of Chemical Theory and Computation|December 2, 2015
Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical InvestigationGeoffrey P F Wood, Mark S Gordon, Leo Radom, et al.
The Journal of Physical Chemistry Letters|January 2, 2016
The Melting Temperature of Liquid Water with the Effective Fragment PotentialKurt R Brorsen, Soohaeng Yoo Willow, Sotiris S Xantheas, et al.
The Journal of Chemical Physics|July 21, 2004
Ab initio vibrational state calculations with a quartic force field: applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6Kiyoshi Yagi, Kimihiko Hirao, Tetsuya Taketsugu, et al.
The Journal of Physical Chemistry. A|July 9, 2010
Gas phase computational studies on the competition between nitrile and water ligands in uranyl complexesGeorge Schoendorff, Wibe A de Jong, Mark S Gordon, et al.
The Journal of Physical Chemistry. A|October 31, 2008
Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster methodYingbin Ge, Mark S Gordon, Piotr Piecuch, et al.
The Journal of Chemical Physics|April 5, 2011
Fully analytic energy gradient in the fragment molecular orbital methodTakeshi Nagata, Kurt Brorsen, Dmitri G Fedorov, et al.
Journal of Computational Chemistry|December 21, 2005
Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivativesTimothy J Dudley, Ryan M Olson, Michael W Schmidt, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital MethodKurt R Brorsen, Federico Zahariev, Hiroya Nakata, et al.
Pageof 26

Showing results (171-180 of 258) with videos related to

Sort By:
Pageof 26
The Journal of Chemical Physics|February 16, 2015
Model space diabatization for quantum photochemistryShaohong L Li, Donald G Truhlar, Michael W Schmidt, et al.
The Journal of Physical Chemistry. A|January 26, 2007
Pentazole-based energetic ionic liquids: a computational studyIan S O Pimienta, Sherrie Elzey, Jerry A Boatz, et al.
Journal of Chemical Theory and Computation|December 2, 2015
Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical InvestigationGeoffrey P F Wood, Mark S Gordon, Leo Radom, et al.
The Journal of Physical Chemistry Letters|January 2, 2016
The Melting Temperature of Liquid Water with the Effective Fragment PotentialKurt R Brorsen, Soohaeng Yoo Willow, Sotiris S Xantheas, et al.
The Journal of Chemical Physics|July 21, 2004
Ab initio vibrational state calculations with a quartic force field: applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6Kiyoshi Yagi, Kimihiko Hirao, Tetsuya Taketsugu, et al.
The Journal of Physical Chemistry. A|July 9, 2010
Gas phase computational studies on the competition between nitrile and water ligands in uranyl complexesGeorge Schoendorff, Wibe A de Jong, Mark S Gordon, et al.
The Journal of Physical Chemistry. A|October 31, 2008
Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster methodYingbin Ge, Mark S Gordon, Piotr Piecuch, et al.
The Journal of Chemical Physics|April 5, 2011
Fully analytic energy gradient in the fragment molecular orbital methodTakeshi Nagata, Kurt Brorsen, Dmitri G Fedorov, et al.
Journal of Computational Chemistry|December 21, 2005
Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivativesTimothy J Dudley, Ryan M Olson, Michael W Schmidt, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital MethodKurt R Brorsen, Federico Zahariev, Hiroya Nakata, et al.
Pageof 26