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Journal of Chemical Theory and Computation
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October 18, 2017
C-H···O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical Assessment
Kevin B Moore, Keyarash Sadeghian, C David Sherrill, et al.
The Journal of Chemical Physics
|
May 21, 2022
The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π-π interactions by water
Dominic A Sirianni, Xiao Zhu, Doree F Sitkoff, et al.
The Journal of Chemical Physics
|
October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theory
Caroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
August 2, 2024
A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation
David Poole, David B Williams-Young, Andy Jiang, et al.
The Journal of Chemical Physics
|
June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
Nucleic Acids Research
|
December 10, 2020
The proto-Nucleic Acid Builder: a software tool for constructing nucleic acid analogs
Asem Alenaizan, Joshua L Barnett, Nicholas V Hud, et al.
Journal of Chemical Information and Modeling
|
December 16, 2020
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
Derek P Metcalf, Andy Jiang, Steven A Spronk, et al.
The Journal of Chemical Physics
|
October 2, 2012
On the relationship between bond-length alternation and many-electron self-interaction error
Thomas Körzdörfer, Robert M Parrish, John S Sears, et al.
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Search research articles
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Showing results (101-110 of 160) with videos related to
Sort By:
Page
of 16
Journal of Chemical Theory and Computation
|
October 18, 2017
C-H···O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical Assessment
Kevin B Moore, Keyarash Sadeghian, C David Sherrill, et al.
The Journal of Chemical Physics
|
May 21, 2022
The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π-π interactions by water
Dominic A Sirianni, Xiao Zhu, Doree F Sitkoff, et al.
The Journal of Chemical Physics
|
October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theory
Caroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
August 2, 2024
A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation
David Poole, David B Williams-Young, Andy Jiang, et al.
The Journal of Chemical Physics
|
June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
Nucleic Acids Research
|
December 10, 2020
The proto-Nucleic Acid Builder: a software tool for constructing nucleic acid analogs
Asem Alenaizan, Joshua L Barnett, Nicholas V Hud, et al.
Journal of Chemical Information and Modeling
|
December 16, 2020
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
Derek P Metcalf, Andy Jiang, Steven A Spronk, et al.
The Journal of Chemical Physics
|
October 2, 2012
On the relationship between bond-length alternation and many-electron self-interaction error
Thomas Körzdörfer, Robert M Parrish, John S Sears, et al.
Page
of 16