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C David Sherrill

Showing results (91-100 of 160) with videos related to

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The Journal of Chemical Physics|March 3, 2011
Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionalsLori A Burns, Alvaro Vázquez-Mayagoitia, Bobby G Sumpter, et al.
The Journal of Chemical Physics|July 24, 2009
Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexesErin R Johnson, Axel D Becke, C David Sherrill, et al.
The Journal of Chemical Physics|December 20, 2012
Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctionsEdward G Hohenstein, Robert M Parrish, C David Sherrill, et al.
The Journal of Chemical Physics|November 5, 2013
Mechanisms of H2O desorption from amorphous solid water by 157-nm irradiation: an experimental and theoretical studyAlice J DeSimone, Vernon D Crowell, C David Sherrill, et al.
The Journal of Physical Chemistry Letters|May 21, 2016
Revised Damping Parameters for the D3 Dispersion Correction to Density Functional TheoryDaniel G A Smith, Lori A Burns, Konrad Patkowski, et al.
The Journal of Chemical Physics|July 9, 2021
Chemical physics softwareC David Sherrill, David E Manolopoulos, Todd J Martínez, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 7, 2009
A versatile co(bisalen) unit for homogeneous and heterogeneous cooperative catalysis in the hydrolytic kinetic resolution of epoxidesKrishnan Venkatasubbaiah, Christopher S Gill, Tait Takatani, et al.
The Journal of Chemical Physics|September 22, 2011
Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theoryUğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of the American Chemical Society|June 16, 2015
Rubrene: The Interplay between Intramolecular and Intermolecular Interactions Determines the Planarization of Its Tetracene Core in the Solid StateChristopher Sutton, Michael S Marshall, C David Sherrill, et al.
The Journal of Chemical Physics|April 22, 2010
Basis set consistent revision of the S22 test set of noncovalent interaction energiesTait Takatani, Edward G Hohenstein, Massimo Malagoli, et al.
Pageof 16

Showing results (91-100 of 160) with videos related to

Sort By:
Pageof 16
The Journal of Chemical Physics|March 3, 2011
Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionalsLori A Burns, Alvaro Vázquez-Mayagoitia, Bobby G Sumpter, et al.
The Journal of Chemical Physics|July 24, 2009
Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexesErin R Johnson, Axel D Becke, C David Sherrill, et al.
The Journal of Chemical Physics|December 20, 2012
Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctionsEdward G Hohenstein, Robert M Parrish, C David Sherrill, et al.
The Journal of Chemical Physics|November 5, 2013
Mechanisms of H2O desorption from amorphous solid water by 157-nm irradiation: an experimental and theoretical studyAlice J DeSimone, Vernon D Crowell, C David Sherrill, et al.
The Journal of Physical Chemistry Letters|May 21, 2016
Revised Damping Parameters for the D3 Dispersion Correction to Density Functional TheoryDaniel G A Smith, Lori A Burns, Konrad Patkowski, et al.
The Journal of Chemical Physics|July 9, 2021
Chemical physics softwareC David Sherrill, David E Manolopoulos, Todd J Martínez, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 7, 2009
A versatile co(bisalen) unit for homogeneous and heterogeneous cooperative catalysis in the hydrolytic kinetic resolution of epoxidesKrishnan Venkatasubbaiah, Christopher S Gill, Tait Takatani, et al.
The Journal of Chemical Physics|September 22, 2011
Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theoryUğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of the American Chemical Society|June 16, 2015
Rubrene: The Interplay between Intramolecular and Intermolecular Interactions Determines the Planarization of Its Tetracene Core in the Solid StateChristopher Sutton, Michael S Marshall, C David Sherrill, et al.
The Journal of Chemical Physics|April 22, 2010
Basis set consistent revision of the S22 test set of noncovalent interaction energiesTait Takatani, Edward G Hohenstein, Massimo Malagoli, et al.
Pageof 16