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Mark S Gordon

Showing results (151-160 of 258) with videos related to

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The Journal of Chemical Physics|March 23, 2022
Rotational and translational diffusion of liquid n-hexane: EFP-based molecular dynamics analysisYu Lim Kim, Mark S Gordon, Andres Garcia, et al.
The Journal of Physical Chemistry. A|September 17, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave FunctionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.
Journal of Computational Chemistry|March 8, 2007
A parallel distributed data CPHF algorithm for analytic HessiansYuri Alexeev, Michael W Schmidt, Theresa L Windus, 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.
The Journal of Chemical Physics|January 28, 2006
A systematic multireference perturbation-theory study of the low-lying states of SiC3Jamie M Rintelman, Mark S Gordon, Graham D Fletcher, et al.
The Journal of Physical Chemistry. A|January 31, 2017
Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their InteractionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A|March 31, 2018
Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test SetShinae Kim, Chelsea M Kaliszewski, Emilie B Guidez, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Fully Integrated Effective Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann, Jan H Jensen, et al.
Journal of Chemical Theory and Computation|November 29, 2015
Open-Shell Formulation of the Fragment Molecular Orbital MethodSpencer R Pruitt, Dmitri G Fedorov, Kazuo Kitaura, et al.
The Journal of Physical Chemistry. A|April 16, 2021
Effective Fragment Potential-Based Molecular Dynamics Studies of Diffusion in Acetone and HexaneYu Lim Kim, Yong Han, James W Evans, et al.
Pageof 26

Showing results (151-160 of 258) with videos related to

Sort By:
Pageof 26
The Journal of Chemical Physics|March 23, 2022
Rotational and translational diffusion of liquid n-hexane: EFP-based molecular dynamics analysisYu Lim Kim, Mark S Gordon, Andres Garcia, et al.
The Journal of Physical Chemistry. A|September 17, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave FunctionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.
Journal of Computational Chemistry|March 8, 2007
A parallel distributed data CPHF algorithm for analytic HessiansYuri Alexeev, Michael W Schmidt, Theresa L Windus, 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.
The Journal of Chemical Physics|January 28, 2006
A systematic multireference perturbation-theory study of the low-lying states of SiC3Jamie M Rintelman, Mark S Gordon, Graham D Fletcher, et al.
The Journal of Physical Chemistry. A|January 31, 2017
Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their InteractionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A|March 31, 2018
Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test SetShinae Kim, Chelsea M Kaliszewski, Emilie B Guidez, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Fully Integrated Effective Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann, Jan H Jensen, et al.
Journal of Chemical Theory and Computation|November 29, 2015
Open-Shell Formulation of the Fragment Molecular Orbital MethodSpencer R Pruitt, Dmitri G Fedorov, Kazuo Kitaura, et al.
The Journal of Physical Chemistry. A|April 16, 2021
Effective Fragment Potential-Based Molecular Dynamics Studies of Diffusion in Acetone and HexaneYu Lim Kim, Yong Han, James W Evans, et al.
Pageof 26