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Roberto Peverati

Showing results (11-20 of 37) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 8, 2012
Screened-exchange density functionals with broad accuracy for chemistry and solid-state physicsRoberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation|November 22, 2015
Exchange-Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its GradientRoberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation|November 25, 2015
Spline Implementation of Generalized Gradient Approximations to the Exchange-Correlation Functional and Study of the Sensitivity of Density Functional Accuracy to Localized Domains of the Reduced Density GradientRoberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation|December 1, 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|July 18, 2012
Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theoryRoberto Peverati, Donald G Truhlar
The Journal of Chemical Physics|January 3, 2013
Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energiesMiho Isegawa, Roberto Peverati, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP|March 28, 2009
Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formationRoberto Peverati, Jay S Siegel, Kim K Baldridge
Journal of Chemical Theory and Computation|December 1, 2015
Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers-Implementation and Analysis of Functionals and Extrapolation ProceduresRoberto Peverati, Marina Macrina, Kim K Baldridge
Inorganic Chemistry|August 28, 2019
Convenient Access to Gallium(I) Cations through Hydrogen Elimination from Cationic Gallium(III) HydridesRudolf J Wehmschulte, Roberto Peverati, Douglas R Powell
Organic Letters|September 11, 2018
Axial-Chiral Biisoquinoline N, N'-Dioxides Bearing Polar Aromatic C-H Bonds as Catalysts in Sakurai-Hosomi-Denmark AllylationCarlyn Reep, Pierpaolo Morgante, Roberto Peverati, et al.
Pageof 4

Showing results (11-20 of 37) with videos related to

Sort By:
Pageof 4
Physical Chemistry Chemical Physics : PCCP|November 8, 2012
Screened-exchange density functionals with broad accuracy for chemistry and solid-state physicsRoberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation|November 22, 2015
Exchange-Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its GradientRoberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation|November 25, 2015
Spline Implementation of Generalized Gradient Approximations to the Exchange-Correlation Functional and Study of the Sensitivity of Density Functional Accuracy to Localized Domains of the Reduced Density GradientRoberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation|December 1, 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|July 18, 2012
Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theoryRoberto Peverati, Donald G Truhlar
The Journal of Chemical Physics|January 3, 2013
Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energiesMiho Isegawa, Roberto Peverati, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP|March 28, 2009
Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formationRoberto Peverati, Jay S Siegel, Kim K Baldridge
Journal of Chemical Theory and Computation|December 1, 2015
Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers-Implementation and Analysis of Functionals and Extrapolation ProceduresRoberto Peverati, Marina Macrina, Kim K Baldridge
Inorganic Chemistry|August 28, 2019
Convenient Access to Gallium(I) Cations through Hydrogen Elimination from Cationic Gallium(III) HydridesRudolf J Wehmschulte, Roberto Peverati, Douglas R Powell
Organic Letters|September 11, 2018
Axial-Chiral Biisoquinoline N, N'-Dioxides Bearing Polar Aromatic C-H Bonds as Catalysts in Sakurai-Hosomi-Denmark AllylationCarlyn Reep, Pierpaolo Morgante, Roberto Peverati, et al.
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