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C David Sherrill

Showing results (11-20 of 160) with videos related to

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The Journal of Chemical Physics|August 10, 2013
Orbital-optimized coupled-electron pair theory and its analytic gradients: accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactionsUğur Bozkaya, C David Sherrill
Physical Chemistry Chemical Physics : PCCP|June 28, 2018
Analysis of transition state stabilization by non-covalent interactions in organocatalysis: application of atomic and functional-group partitioned symmetry-adapted perturbation theory to the addition of organoboron reagents to fluoroketonesBrandon W Bakr, C David Sherrill
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 9, 2008
First principles computation of lattice energies of organic solids: the benzene crystalAshley L Ringer, C David Sherrill
Journal of Chemical Theory and Computation|November 22, 2015
Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural OrbitalsA Eugene DePrince, C David Sherrill
Journal of the American Chemical Society|March 13, 2009
Substituent effects in sandwich configurations of multiply substituted benzene dimers are not solely governed by electrostatic controlAshley L Ringer, C David Sherrill
The Journal of Physical Chemistry. A|January 10, 2009
Effects of heteroatoms on aromatic pi-pi interactions: benzene-pyridine and pyridine dimerEdward G Hohenstein, C David Sherrill
The Journal of Physical Chemistry. A|September 15, 2006
High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimersMutasem Omar Sinnokrot, C David Sherrill
The Journal of Chemical Physics|October 27, 2016
Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair stepsJérôme F Gonthier, C David Sherrill
The Journal of Physical Chemistry. A|March 15, 2008
Assessing the performance of density functional theory for the electronic structure of metal-salens: the 3d(0)-metalsJohn S Sears, C David Sherrill
The Journal of Chemical Physics|July 10, 2010
Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theoryEdward G Hohenstein, C David Sherrill
Pageof 16

Showing results (11-20 of 160) with videos related to

Sort By:
Pageof 16
The Journal of Chemical Physics|August 10, 2013
Orbital-optimized coupled-electron pair theory and its analytic gradients: accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactionsUğur Bozkaya, C David Sherrill
Physical Chemistry Chemical Physics : PCCP|June 28, 2018
Analysis of transition state stabilization by non-covalent interactions in organocatalysis: application of atomic and functional-group partitioned symmetry-adapted perturbation theory to the addition of organoboron reagents to fluoroketonesBrandon W Bakr, C David Sherrill
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 9, 2008
First principles computation of lattice energies of organic solids: the benzene crystalAshley L Ringer, C David Sherrill
Journal of Chemical Theory and Computation|November 22, 2015
Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural OrbitalsA Eugene DePrince, C David Sherrill
Journal of the American Chemical Society|March 13, 2009
Substituent effects in sandwich configurations of multiply substituted benzene dimers are not solely governed by electrostatic controlAshley L Ringer, C David Sherrill
The Journal of Physical Chemistry. A|January 10, 2009
Effects of heteroatoms on aromatic pi-pi interactions: benzene-pyridine and pyridine dimerEdward G Hohenstein, C David Sherrill
The Journal of Physical Chemistry. A|September 15, 2006
High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimersMutasem Omar Sinnokrot, C David Sherrill
The Journal of Chemical Physics|October 27, 2016
Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair stepsJérôme F Gonthier, C David Sherrill
The Journal of Physical Chemistry. A|March 15, 2008
Assessing the performance of density functional theory for the electronic structure of metal-salens: the 3d(0)-metalsJohn S Sears, C David Sherrill
The Journal of Chemical Physics|July 10, 2010
Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theoryEdward G Hohenstein, C David Sherrill
Pageof 16