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Nathan E Schultz

Showing results (1-10 of 16) with videos related to

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Journal of Chemical Theory and Computation|December 8, 2015
New Effective Core Method (Effective Core Potential and Valence Basis Set) for Al Clusters and Nanoparticles and Heteronuclear Al-Containing MoleculesNathan E Schultz, Donald G Truhlar
The Journal of Chemical Physics|November 5, 2005
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactionsYan Zhao, Nathan E Schultz, D G Truhlar
Journal of Computational Chemistry|June 15, 2007
Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cationsNathan E Schultz, Yan Zhao, Donald G Truhlar
The Journal of Physical Chemistry. A|July 13, 2006
Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximationsNathan E Schultz, Yan Zhao, Donald G Truhlar
Journal of Chemical Theory and Computation|December 3, 2015
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent InteractionsYan Zhao, Nathan E Schultz, Donald G Truhlar
The Journal of Physical Chemistry. A|December 8, 2005
Density functionals for inorganometallic and organometallic chemistryNathan E Schultz, Yan Zhao, Donald G Truhlar
The Journal of Physical Chemistry. B|July 21, 2006
Analytic potential energy functions for simulating aluminum nanoparticlesAhren W Jasper, Nathan E Schultz, Donald G Truhlar
Journal of Chemical Theory and Computation|December 3, 2015
Transferability of Orthogonal and Nonorthogonal Tight-Binding Models for Aluminum Clusters and NanoparticlesAhren W Jasper, Nathan E Schultz, Donald G Truhlar
The Journal of Physical Chemistry. B|April 11, 2009
TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcoholsKatie A Maerzke, Nathan E Schultz, Richard B Ross, et al.
The Journal of Physical Chemistry. B|November 28, 2006
PdnCO (n = 1,2): accurate Ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modelingNathan E Schultz, Benjamin F Gherman, Christopher J Cramer, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|December 8, 2015
New Effective Core Method (Effective Core Potential and Valence Basis Set) for Al Clusters and Nanoparticles and Heteronuclear Al-Containing MoleculesNathan E Schultz, Donald G Truhlar
The Journal of Chemical Physics|November 5, 2005
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactionsYan Zhao, Nathan E Schultz, D G Truhlar
Journal of Computational Chemistry|June 15, 2007
Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cationsNathan E Schultz, Yan Zhao, Donald G Truhlar
The Journal of Physical Chemistry. A|July 13, 2006
Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximationsNathan E Schultz, Yan Zhao, Donald G Truhlar
Journal of Chemical Theory and Computation|December 3, 2015
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent InteractionsYan Zhao, Nathan E Schultz, Donald G Truhlar
The Journal of Physical Chemistry. A|December 8, 2005
Density functionals for inorganometallic and organometallic chemistryNathan E Schultz, Yan Zhao, Donald G Truhlar
The Journal of Physical Chemistry. B|July 21, 2006
Analytic potential energy functions for simulating aluminum nanoparticlesAhren W Jasper, Nathan E Schultz, Donald G Truhlar
Journal of Chemical Theory and Computation|December 3, 2015
Transferability of Orthogonal and Nonorthogonal Tight-Binding Models for Aluminum Clusters and NanoparticlesAhren W Jasper, Nathan E Schultz, Donald G Truhlar
The Journal of Physical Chemistry. B|April 11, 2009
TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcoholsKatie A Maerzke, Nathan E Schultz, Richard B Ross, et al.
The Journal of Physical Chemistry. B|November 28, 2006
PdnCO (n = 1,2): accurate Ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modelingNathan E Schultz, Benjamin F Gherman, Christopher J Cramer, et al.
Pageof 2