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Journal of Chemical Theory and Computation
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November 21, 2015
Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition
Robert M Parrish, Trent M Parker, C David Sherrill
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 11, 2020
Noncovalent Helicene Structure between Nucleic Acids and Cyanuric Acid
Asem Alenaizan, Kévin Fauché, Ramanarayanan Krishnamurthy, et al.
The Journal of Chemical Physics
|
October 15, 2024
QCManyBody: A flexible implementation of the many-body expansion
Lori A Burns, C David Sherrill, Benjamin P Pritchard
Journal of the American Chemical Society
|
September 5, 2002
Estimates of the ab initio limit for pi-pi interactions: the benzene dimer
Mutasem Omar Sinnokrot, Edward F Valeev, C David Sherrill
Journal of Chemical Theory and Computation
|
January 11, 2017
Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions
Dominic A Sirianni, Lori A Burns, C David Sherrill
The Journal of Physical Chemistry. A
|
July 15, 2006
Estimates of the ab initio limit for sulfur-pi interactions: the H2S-benzene dimer
Tony P Tauer, M Elizabeth Derrick, C David Sherrill
The Journal of Chemical Physics
|
November 12, 2013
Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations
Robert M Parrish, Edward G Hohenstein, C David Sherrill
Journal of Chemical Information and Modeling
|
June 17, 2025
SparcleQC: Automated Input File Creation for QM/MM Studies of Protein:Ligand Complexes
Caroline S Glick, Isabel P Berry, C David Sherrill
Journal of Chemical Theory and Computation
|
December 2, 2015
Assessment of the Performance of the M05-2X and M06-2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules
Edward G Hohenstein, Samuel T Chill, C David Sherrill
The Journal of Chemical Physics
|
November 25, 2011
Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases
Michael S Marshall, Lori A Burns, C David Sherrill
Page
of 16
Search research articles
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Showing results (51-60 of 160) with videos related to
Sort By:
Page
of 16
Journal of Chemical Theory and Computation
|
November 21, 2015
Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition
Robert M Parrish, Trent M Parker, C David Sherrill
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 11, 2020
Noncovalent Helicene Structure between Nucleic Acids and Cyanuric Acid
Asem Alenaizan, Kévin Fauché, Ramanarayanan Krishnamurthy, et al.
The Journal of Chemical Physics
|
October 15, 2024
QCManyBody: A flexible implementation of the many-body expansion
Lori A Burns, C David Sherrill, Benjamin P Pritchard
Journal of the American Chemical Society
|
September 5, 2002
Estimates of the ab initio limit for pi-pi interactions: the benzene dimer
Mutasem Omar Sinnokrot, Edward F Valeev, C David Sherrill
Journal of Chemical Theory and Computation
|
January 11, 2017
Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions
Dominic A Sirianni, Lori A Burns, C David Sherrill
The Journal of Physical Chemistry. A
|
July 15, 2006
Estimates of the ab initio limit for sulfur-pi interactions: the H2S-benzene dimer
Tony P Tauer, M Elizabeth Derrick, C David Sherrill
The Journal of Chemical Physics
|
November 12, 2013
Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations
Robert M Parrish, Edward G Hohenstein, C David Sherrill
Journal of Chemical Information and Modeling
|
June 17, 2025
SparcleQC: Automated Input File Creation for QM/MM Studies of Protein:Ligand Complexes
Caroline S Glick, Isabel P Berry, C David Sherrill
Journal of Chemical Theory and Computation
|
December 2, 2015
Assessment of the Performance of the M05-2X and M06-2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules
Edward G Hohenstein, Samuel T Chill, C David Sherrill
The Journal of Chemical Physics
|
November 25, 2011
Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases
Michael S Marshall, Lori A Burns, C David Sherrill
Page
of 16