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The Journal of Chemical Physics
|
September 1, 2006
Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking
Arteum D Bochevarov, Berhane Temelso, C David Sherrill
The Journal of Chemical Physics
|
March 8, 2023
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine
Yi Xie, Zachary L Glick, C David Sherrill
The Journal of Physical Chemistry. A
|
October 15, 2010
Assessing the performance of density functional theory for the electronic structure of metal-salens: the M06 suite of functionals and the d⁴-metals
Tait Takatani, John S Sears, C David Sherrill
The Journal of Physical Chemistry. A
|
July 23, 2009
Assessing the performance of density functional theory for the electronic structure of metal-salens: the d6-metals
Tait Takatani, John S Sears, C David Sherrill
The Journal of Physical Chemistry. A
|
August 20, 2009
An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S
C David Sherrill, Tait Takatani, Edward G Hohenstein
Protein Science : a Publication of the Protein Society
|
September 4, 2007
Models of S/pi interactions in protein structures: comparison of the H2S benzene complex with PDB data
Ashley L Ringer, Anastasia Senenko, C David Sherrill
Journal of the American Chemical Society
|
August 6, 2011
Origin of the surprising enhancement of electrostatic energies by electron-donating substituents in substituted sandwich benzene dimers
Edward G Hohenstein, Jiana Duan, C David Sherrill
The Journal of Chemical Physics
|
April 2, 2008
Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy
Tait Takatani, Edward G Hohenstein, C David Sherrill
The Journal of Chemical Physics
|
December 22, 2014
Appointing silver and bronze standards for noncovalent interactions: a comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches
Lori A Burns, Michael S Marshall, C David Sherrill
The Journal of Physical Chemistry. A
|
December 16, 2014
Counterion and substrate effects on barrier heights of the hydrolytic kinetic resolution of terminal epoxides catalyzed by Co(III)-salen
Matthew R Kennedy, Lori A Burns, C David Sherrill
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of 16
Search research articles
Search
Showing results (41-50 of 160) with videos related to
Sort By:
Page
of 16
The Journal of Chemical Physics
|
September 1, 2006
Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking
Arteum D Bochevarov, Berhane Temelso, C David Sherrill
The Journal of Chemical Physics
|
March 8, 2023
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine
Yi Xie, Zachary L Glick, C David Sherrill
The Journal of Physical Chemistry. A
|
October 15, 2010
Assessing the performance of density functional theory for the electronic structure of metal-salens: the M06 suite of functionals and the d⁴-metals
Tait Takatani, John S Sears, C David Sherrill
The Journal of Physical Chemistry. A
|
July 23, 2009
Assessing the performance of density functional theory for the electronic structure of metal-salens: the d6-metals
Tait Takatani, John S Sears, C David Sherrill
The Journal of Physical Chemistry. A
|
August 20, 2009
An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S
C David Sherrill, Tait Takatani, Edward G Hohenstein
Protein Science : a Publication of the Protein Society
|
September 4, 2007
Models of S/pi interactions in protein structures: comparison of the H2S benzene complex with PDB data
Ashley L Ringer, Anastasia Senenko, C David Sherrill
Journal of the American Chemical Society
|
August 6, 2011
Origin of the surprising enhancement of electrostatic energies by electron-donating substituents in substituted sandwich benzene dimers
Edward G Hohenstein, Jiana Duan, C David Sherrill
The Journal of Chemical Physics
|
April 2, 2008
Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy
Tait Takatani, Edward G Hohenstein, C David Sherrill
The Journal of Chemical Physics
|
December 22, 2014
Appointing silver and bronze standards for noncovalent interactions: a comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches
Lori A Burns, Michael S Marshall, C David Sherrill
The Journal of Physical Chemistry. A
|
December 16, 2014
Counterion and substrate effects on barrier heights of the hydrolytic kinetic resolution of terminal epoxides catalyzed by Co(III)-salen
Matthew R Kennedy, Lori A Burns, C David Sherrill
Page
of 16