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Journal of Chemical Theory and Computation
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December 4, 2019
Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory
Joonho Lee, Lin Lin, Martin Head-Gordon
Biophysical Journal
|
March 3, 2004
Hydration dynamics near a model protein surface
Daniela Russo, Greg Hura, Teresa Head-Gordon
Journal of the American Chemical Society
|
August 12, 2010
Theoretical study of substituted PBPB dimers: structural analysis, tetraradical character, and excited states
Franziska Bell, David Casanova, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America
|
June 30, 2009
Chemistry of fast electrons
Sergey N Maximoff, Martin P Head-Gordon
Physical Review Letters
|
December 31, 2008
Locating multiple self-consistent field solutions: an approach inspired by metadynamics
Alex J W Thom, Martin Head-Gordon
The Journal of Chemical Physics
|
October 27, 2016
Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models
Susi Lehtola, John Parkhill, Martin Head-Gordon
The Journal of Chemical Physics
|
March 17, 2019
The combined force field-sampling problem in simulations of disordered amyloid-β peptides
James Lincoff, Sukanya Sasmal, Teresa Head-Gordon
The Journal of Chemical Physics
|
February 15, 2023
Sparsity of the electron repulsion integral tensor using different localized virtual orbital representations in local second-order Møller-Plesset theory
Zhenling Wang, Abdulrahman Aldossary, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
May 8, 2023
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory
Elliot Rossomme, Leonardo A Cunha, Wanlu Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2011
Characterization of electronically excited states in anionic acetonitrile clusters
Julian Azar, Westin Kurlancheek, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (181-190 of 649) with videos related to
Sort By:
Page
of 65
Journal of Chemical Theory and Computation
|
December 4, 2019
Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory
Joonho Lee, Lin Lin, Martin Head-Gordon
Biophysical Journal
|
March 3, 2004
Hydration dynamics near a model protein surface
Daniela Russo, Greg Hura, Teresa Head-Gordon
Journal of the American Chemical Society
|
August 12, 2010
Theoretical study of substituted PBPB dimers: structural analysis, tetraradical character, and excited states
Franziska Bell, David Casanova, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America
|
June 30, 2009
Chemistry of fast electrons
Sergey N Maximoff, Martin P Head-Gordon
Physical Review Letters
|
December 31, 2008
Locating multiple self-consistent field solutions: an approach inspired by metadynamics
Alex J W Thom, Martin Head-Gordon
The Journal of Chemical Physics
|
October 27, 2016
Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models
Susi Lehtola, John Parkhill, Martin Head-Gordon
The Journal of Chemical Physics
|
March 17, 2019
The combined force field-sampling problem in simulations of disordered amyloid-β peptides
James Lincoff, Sukanya Sasmal, Teresa Head-Gordon
The Journal of Chemical Physics
|
February 15, 2023
Sparsity of the electron repulsion integral tensor using different localized virtual orbital representations in local second-order Møller-Plesset theory
Zhenling Wang, Abdulrahman Aldossary, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
May 8, 2023
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory
Elliot Rossomme, Leonardo A Cunha, Wanlu Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2011
Characterization of electronically excited states in anionic acetonitrile clusters
Julian Azar, Westin Kurlancheek, Martin Head-Gordon
Page
of 65