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Mark S Gordon

Showing results (21-30 of 257) with videos related to

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The Journal of Physical Chemistry. A|January 16, 2019
Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical IntersectionsJoani Mato, Mark S Gordon
The Journal of Physical Chemistry. A|July 13, 2006
Solvent effects on the S(N)2 reaction: Application of the density functional theory-based effective fragment potential methodIvana Adamovic, Mark S Gordon
The Journal of Chemical Physics|April 7, 2007
Polarization energy gradients in combined quantum mechanics, effective fragment potential, and polarizable continuum model calculationsHui Li, Mark S Gordon
The Journal of Chemical Physics|December 21, 2006
Exploring the effect of anharmonicity of molecular vibrations on thermodynamic propertiesBosiljka Njegic, Mark S Gordon
The Journal of Physical Chemistry. A|June 7, 2011
Photoisomerization of stilbene: a spin-flip density functional theory approachNoriyuki Minezawa, Mark S Gordon
The Journal of Chemical Physics|August 3, 2011
Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functionsLuke Roskop, Mark S Gordon
Journal of Chemical Theory and Computation|November 26, 2015
New Multithreaded Hybrid CPU/GPU Approach to Hartree-FockAndrey Asadchev, Mark S Gordon
Journal of the American Chemical Society|March 3, 2005
Cycloaddition of benzene on Si(100) and its surface conversionsYousung Jung, Mark S Gordon
The Journal of Chemical Physics|October 23, 2021
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital modelBryce M Westheimer, Mark S Gordon
The Journal of Physical Chemistry. B|June 3, 2009
Alanine: then there was waterJonathan M Mullin, Mark S Gordon
Pageof 26

Showing results (21-30 of 257) with videos related to

Sort By:
Pageof 26
The Journal of Physical Chemistry. A|January 16, 2019
Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical IntersectionsJoani Mato, Mark S Gordon
The Journal of Physical Chemistry. A|July 13, 2006
Solvent effects on the S(N)2 reaction: Application of the density functional theory-based effective fragment potential methodIvana Adamovic, Mark S Gordon
The Journal of Chemical Physics|April 7, 2007
Polarization energy gradients in combined quantum mechanics, effective fragment potential, and polarizable continuum model calculationsHui Li, Mark S Gordon
The Journal of Chemical Physics|December 21, 2006
Exploring the effect of anharmonicity of molecular vibrations on thermodynamic propertiesBosiljka Njegic, Mark S Gordon
The Journal of Physical Chemistry. A|June 7, 2011
Photoisomerization of stilbene: a spin-flip density functional theory approachNoriyuki Minezawa, Mark S Gordon
The Journal of Chemical Physics|August 3, 2011
Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functionsLuke Roskop, Mark S Gordon
Journal of Chemical Theory and Computation|November 26, 2015
New Multithreaded Hybrid CPU/GPU Approach to Hartree-FockAndrey Asadchev, Mark S Gordon
Journal of the American Chemical Society|March 3, 2005
Cycloaddition of benzene on Si(100) and its surface conversionsYousung Jung, Mark S Gordon
The Journal of Chemical Physics|October 23, 2021
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital modelBryce M Westheimer, Mark S Gordon
The Journal of Physical Chemistry. B|June 3, 2009
Alanine: then there was waterJonathan M Mullin, Mark S Gordon
Pageof 26