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The Journal of Chemical Physics
|
August 12, 2004
A general diagrammatic algorithm for contraction and subsequent simplification of second-quantized expressions
Arteum D Bochevarov, C David Sherrill
Journal of the American Chemical Society
|
June 17, 2004
Substituent effects in pi-pi interactions: sandwich and T-shaped configurations
Mutasem Omar Sinnokrot, C David Sherrill
Journal of Chemical Theory and Computation
|
November 18, 2015
Assessment of Empirical Models versus High-Accuracy Ab Initio Methods for Nucleobase Stacking: Evaluating the Importance of Charge Penetration
Trent M Parker, C David Sherrill
The Journal of Physical Chemistry. A
|
July 3, 2008
Assessing the performance of density functional theory for the electronic structure of metal-salens: the d2-metals
John S Sears, C David Sherrill
Journal of Chemical Information and Modeling
|
May 1, 2023
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs
Rameshwar L Kumawat, C David Sherrill
The Journal of Chemical Physics
|
July 13, 2005
Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions
Arteum D Bochevarov, C David Sherrill
The Journal of Chemical Physics
|
August 3, 2014
Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition
Robert M Parrish, C David Sherrill
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2008
Substituent effects in parallel-displaced pi-pi interactions
Stephen A Arnstein, C David Sherrill
The Journal of Chemical Physics
|
September 18, 2024
Optimization of damping function parameters for -D3 and -D4 dispersion models for Hartree-Fock based symmetry-adapted perturbation theory
Austin M Wallace, C David Sherrill
The Journal of Chemical Physics
|
January 17, 2020
Techniques for high-performance construction of Fock matrices
Hua Huang, C David Sherrill, Edmond Chow
Page
of 16
Search research articles
Search
Showing results (31-40 of 160) with videos related to
Sort By:
Page
of 16
The Journal of Chemical Physics
|
August 12, 2004
A general diagrammatic algorithm for contraction and subsequent simplification of second-quantized expressions
Arteum D Bochevarov, C David Sherrill
Journal of the American Chemical Society
|
June 17, 2004
Substituent effects in pi-pi interactions: sandwich and T-shaped configurations
Mutasem Omar Sinnokrot, C David Sherrill
Journal of Chemical Theory and Computation
|
November 18, 2015
Assessment of Empirical Models versus High-Accuracy Ab Initio Methods for Nucleobase Stacking: Evaluating the Importance of Charge Penetration
Trent M Parker, C David Sherrill
The Journal of Physical Chemistry. A
|
July 3, 2008
Assessing the performance of density functional theory for the electronic structure of metal-salens: the d2-metals
John S Sears, C David Sherrill
Journal of Chemical Information and Modeling
|
May 1, 2023
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs
Rameshwar L Kumawat, C David Sherrill
The Journal of Chemical Physics
|
July 13, 2005
Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions
Arteum D Bochevarov, C David Sherrill
The Journal of Chemical Physics
|
August 3, 2014
Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition
Robert M Parrish, C David Sherrill
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2008
Substituent effects in parallel-displaced pi-pi interactions
Stephen A Arnstein, C David Sherrill
The Journal of Chemical Physics
|
September 18, 2024
Optimization of damping function parameters for -D3 and -D4 dispersion models for Hartree-Fock based symmetry-adapted perturbation theory
Austin M Wallace, C David Sherrill
The Journal of Chemical Physics
|
January 17, 2020
Techniques for high-performance construction of Fock matrices
Hua Huang, C David Sherrill, Edmond Chow
Page
of 16