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The Journal of Chemical Physics
|
September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
Philip M Nelson, Zachary L Glick, C David Sherrill
Journal of Chemical Theory and Computation
|
March 27, 2018
Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi
Ryan M Richard, Brandon W Bakr, C David Sherrill
Journal of Chemical Theory and Computation
|
November 19, 2015
Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions
Lori A Burns, Michael S Marshall, C David Sherrill
The Journal of Chemical Physics
|
May 2, 2025
Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimers
Caroline S Glick, Rameshwar L Kumawat, C David Sherrill
The Journal of Physical Chemistry. A
|
November 10, 2012
Buckyplates and buckybowls: examining the effects of curvature on π-π interactions
Matthew R Kennedy, Lori A Burns, C David Sherrill
The Journal of Chemical Physics
|
July 15, 2022
Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange-correlation kernels for dispersion terms
Yi Xie, Daniel G A Smith, C David Sherrill
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 23, 2008
Macrocyclic cyclooctene-supported AlCl-salen catalysts for conjugated addition reactions: effect of linker and support structure on catalysis
Nandita Madhavan, Tait Takatani, C David Sherrill, et al.
The Journal of Physical Chemistry. A
|
February 24, 2010
Accurately characterizing the pi-pi interaction energies of indole-benzene complexes
Yue Geng, Tait Takatani, Edward G Hohenstein, et al.
The Journal of Chemical Physics
|
September 1, 2022
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals
Derek P Metcalf, Andrew Smith, Zachary L Glick, et al.
The Journal of Physical Chemistry. A
|
September 22, 2006
High-level ab initio studies of hydrogen abstraction from prototype hydrocarbon systems
Berhane Temelso, C David Sherrill, Ralph C Merkle, et al.
Page
of 16
Search research articles
Search
Showing results (61-70 of 160) with videos related to
Sort By:
Page
of 16
The Journal of Chemical Physics
|
September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
Philip M Nelson, Zachary L Glick, C David Sherrill
Journal of Chemical Theory and Computation
|
March 27, 2018
Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi
Ryan M Richard, Brandon W Bakr, C David Sherrill
Journal of Chemical Theory and Computation
|
November 19, 2015
Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions
Lori A Burns, Michael S Marshall, C David Sherrill
The Journal of Chemical Physics
|
May 2, 2025
Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimers
Caroline S Glick, Rameshwar L Kumawat, C David Sherrill
The Journal of Physical Chemistry. A
|
November 10, 2012
Buckyplates and buckybowls: examining the effects of curvature on π-π interactions
Matthew R Kennedy, Lori A Burns, C David Sherrill
The Journal of Chemical Physics
|
July 15, 2022
Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange-correlation kernels for dispersion terms
Yi Xie, Daniel G A Smith, C David Sherrill
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 23, 2008
Macrocyclic cyclooctene-supported AlCl-salen catalysts for conjugated addition reactions: effect of linker and support structure on catalysis
Nandita Madhavan, Tait Takatani, C David Sherrill, et al.
The Journal of Physical Chemistry. A
|
February 24, 2010
Accurately characterizing the pi-pi interaction energies of indole-benzene complexes
Yue Geng, Tait Takatani, Edward G Hohenstein, et al.
The Journal of Chemical Physics
|
September 1, 2022
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals
Derek P Metcalf, Andrew Smith, Zachary L Glick, et al.
The Journal of Physical Chemistry. A
|
September 22, 2006
High-level ab initio studies of hydrogen abstraction from prototype hydrocarbon systems
Berhane Temelso, C David Sherrill, Ralph C Merkle, et al.
Page
of 16