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Physical Chemistry Chemical Physics : PCCP
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March 30, 2016
Analysis of transition state stabilization by non-covalent interactions in the Houk-List model of organocatalyzed intermolecular Aldol additions using functional-group symmetry-adapted perturbation theory
Brandon W Bakr, C David Sherrill
The Journal of Chemical Physics
|
November 13, 2004
Full configuration interaction potential energy curves for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2): a challenge for approximate methods
Micah L Abrams, C David Sherrill
The Journal of Chemical Physics
|
April 22, 2006
The electronic structure of oxo-Mn(salen): single-reference and multireference approaches
John S Sears, C David Sherrill
Journal of Chemical Theory and Computation
|
November 20, 2015
Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian
A Eugene DePrince, C David Sherrill
Journal of Chemical Theory and Computation
|
November 25, 2015
Dispersion-Weighted Explicitly Correlated Coupled-Cluster Theory [DW-CCSD(T**)-F12]
Michael S Marshall, C David Sherrill
The Journal of Chemical Physics
|
January 17, 2025
pyVPT2: Interoperable software for anharmonic vibrational frequency calculations
Philip M Nelson, C David Sherrill
The Journal of Chemical Physics
|
December 3, 2024
Convergence of the many-body expansion with respect to distance cutoffs in crystals of polar molecules: Acetic acid, formamide, and imidazole
Philip M Nelson, C David Sherrill
Journal of the American Chemical Society
|
November 26, 2014
Quantum-mechanical evaluation of π-π versus substituent-π interactions in π stacking: direct evidence for the Wheeler-Houk picture
Robert M Parrish, C David Sherrill
The Journal of Chemical Physics
|
September 21, 2010
Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller-Plesset perturbation theory natural orbitals
Edward G Hohenstein, C David Sherrill
The Journal of Physical Chemistry. A
|
July 13, 2006
Beyond the benzene dimer: an investigation of the additivity of pi-pi interactions
Tony P Tauer, C David Sherrill
Page
of 16
Search research articles
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Showing results (21-30 of 160) with videos related to
Sort By:
Page
of 16
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2016
Analysis of transition state stabilization by non-covalent interactions in the Houk-List model of organocatalyzed intermolecular Aldol additions using functional-group symmetry-adapted perturbation theory
Brandon W Bakr, C David Sherrill
The Journal of Chemical Physics
|
November 13, 2004
Full configuration interaction potential energy curves for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2): a challenge for approximate methods
Micah L Abrams, C David Sherrill
The Journal of Chemical Physics
|
April 22, 2006
The electronic structure of oxo-Mn(salen): single-reference and multireference approaches
John S Sears, C David Sherrill
Journal of Chemical Theory and Computation
|
November 20, 2015
Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian
A Eugene DePrince, C David Sherrill
Journal of Chemical Theory and Computation
|
November 25, 2015
Dispersion-Weighted Explicitly Correlated Coupled-Cluster Theory [DW-CCSD(T**)-F12]
Michael S Marshall, C David Sherrill
The Journal of Chemical Physics
|
January 17, 2025
pyVPT2: Interoperable software for anharmonic vibrational frequency calculations
Philip M Nelson, C David Sherrill
The Journal of Chemical Physics
|
December 3, 2024
Convergence of the many-body expansion with respect to distance cutoffs in crystals of polar molecules: Acetic acid, formamide, and imidazole
Philip M Nelson, C David Sherrill
Journal of the American Chemical Society
|
November 26, 2014
Quantum-mechanical evaluation of π-π versus substituent-π interactions in π stacking: direct evidence for the Wheeler-Houk picture
Robert M Parrish, C David Sherrill
The Journal of Chemical Physics
|
September 21, 2010
Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller-Plesset perturbation theory natural orbitals
Edward G Hohenstein, C David Sherrill
The Journal of Physical Chemistry. A
|
July 13, 2006
Beyond the benzene dimer: an investigation of the additivity of pi-pi interactions
Tony P Tauer, C David Sherrill
Page
of 16