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Roberto Peverati

Showing results (1-10 of 37) with videos related to

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Journal of Chemical Theory and Computation|December 4, 2015
Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in SolutionRoberto Peverati, Kim K Baldridge
Journal of Chemical Theory and Computation|December 2, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic HydrocarbonsRoberto Peverati, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP|August 22, 2019
Statistically representative databases for density functional theory via data sciencePierpaolo Morgante, Roberto Peverati
Journal of Computational Chemistry|December 25, 2018
ACCDB: A collection of chemistry databases for broad computational purposesPierpaolo Morgante, Roberto Peverati
Molecules (Basel, Switzerland)|April 28, 2023
Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of PorphyrinsPierpaolo Morgante, Roberto Peverati
The Journal of Chemical Physics|July 19, 2013
Orbital optimized double-hybrid density functionalsRoberto Peverati, Martin Head-Gordon
The Journal of Chemical Physics|November 25, 2011
Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistryRoberto Peverati, Donald G Truhlar
The Journal of Chemical Physics|April 10, 2012
Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductorsRoberto Peverati, Donald G Truhlar
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 12, 2014
Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physicsRoberto Peverati, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP|August 23, 2012
An improved and broadly accurate local approximation to the exchange-correlation density functional: the MN12-L functional for electronic structure calculations in chemistry and physicsRoberto Peverati, Donald G Truhlar
Pageof 4

Showing results (1-10 of 37) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|December 4, 2015
Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in SolutionRoberto Peverati, Kim K Baldridge
Journal of Chemical Theory and Computation|December 2, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic HydrocarbonsRoberto Peverati, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP|August 22, 2019
Statistically representative databases for density functional theory via data sciencePierpaolo Morgante, Roberto Peverati
Journal of Computational Chemistry|December 25, 2018
ACCDB: A collection of chemistry databases for broad computational purposesPierpaolo Morgante, Roberto Peverati
Molecules (Basel, Switzerland)|April 28, 2023
Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of PorphyrinsPierpaolo Morgante, Roberto Peverati
The Journal of Chemical Physics|July 19, 2013
Orbital optimized double-hybrid density functionalsRoberto Peverati, Martin Head-Gordon
The Journal of Chemical Physics|November 25, 2011
Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistryRoberto Peverati, Donald G Truhlar
The Journal of Chemical Physics|April 10, 2012
Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductorsRoberto Peverati, Donald G Truhlar
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 12, 2014
Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physicsRoberto Peverati, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP|August 23, 2012
An improved and broadly accurate local approximation to the exchange-correlation density functional: the MN12-L functional for electronic structure calculations in chemistry and physicsRoberto Peverati, Donald G Truhlar
Pageof 4