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Andrew M Sand

Showing results (1-10 of 14) with videos related to

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The Journal of Chemical Physics|October 10, 2015
Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systemsAndrew M Sand, David A Mazziotti
The Journal of Chemical Physics|July 5, 2013
Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix methodAndrew M Sand, David A Mazziotti
The Journal of Chemical Physics|January 23, 2017
Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferroceneAndrew M Sand, Donald G Truhlar, Laura Gagliardi
The Journal of Physical Chemistry. A|July 25, 2024
The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional TheoryWilliam E Minnette, Erik P Hoy, Andrew M Sand
The Journal of Chemical Physics|September 23, 2021
A multiconfiguration pair-density functional theory-based approach to molecular junctionsAndrew M Sand, Justin T Malme, Erik P Hoy
The Journal of Chemical Physics|January 28, 2012
Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazeneAndrew M Sand, Christine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. A|October 15, 2019
Calculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating OrbitalsAndrew M Sand, Katherine M Kidder, Donald G Truhlar, et al.
The Journal of Chemical Physics|July 16, 2018
State-interaction pair-density functional theoryAndrew M Sand, Chad E Hoyer, Donald G Truhlar, et al.
The Journal of Physical Chemistry. A|July 26, 2014
Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluoroneAndrew M Sand, Claire Liu, Andrew J S Valentine, et al.
The Journal of Chemical Physics|July 10, 2020
Analytic gradients for state-averaged multiconfiguration pair-density functional theoryThais R Scott, Matthew R Hermes, Andrew M Sand, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|October 10, 2015
Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systemsAndrew M Sand, David A Mazziotti
The Journal of Chemical Physics|July 5, 2013
Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix methodAndrew M Sand, David A Mazziotti
The Journal of Chemical Physics|January 23, 2017
Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferroceneAndrew M Sand, Donald G Truhlar, Laura Gagliardi
The Journal of Physical Chemistry. A|July 25, 2024
The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional TheoryWilliam E Minnette, Erik P Hoy, Andrew M Sand
The Journal of Chemical Physics|September 23, 2021
A multiconfiguration pair-density functional theory-based approach to molecular junctionsAndrew M Sand, Justin T Malme, Erik P Hoy
The Journal of Chemical Physics|January 28, 2012
Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazeneAndrew M Sand, Christine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. A|October 15, 2019
Calculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating OrbitalsAndrew M Sand, Katherine M Kidder, Donald G Truhlar, et al.
The Journal of Chemical Physics|July 16, 2018
State-interaction pair-density functional theoryAndrew M Sand, Chad E Hoyer, Donald G Truhlar, et al.
The Journal of Physical Chemistry. A|July 26, 2014
Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluoroneAndrew M Sand, Claire Liu, Andrew J S Valentine, et al.
The Journal of Chemical Physics|July 10, 2020
Analytic gradients for state-averaged multiconfiguration pair-density functional theoryThais R Scott, Matthew R Hermes, Andrew M Sand, et al.
Pageof 2