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The Journal of Chemical Physics
|
June 24, 2017
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C
Jonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 25, 2007
Localized orbital theory and ammonia triborane
Joseph E Subotnik, Alex Sodt, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America
|
December 15, 1991
A strategy for finding classes of minima on a hypersurface: implications for approaches to the protein folding problem
T Head-Gordon, F H Stillinger, J Arrecis
Journal of Chemical Theory and Computation
|
February 19, 2015
Efficient implementation of the pair atomic resolution of the identity approximation for exact exchange for hybrid and range- separated density functionals
Samuel F Manzer, Evgeny Epifanovsky, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
July 13, 2006
Scaled opposite spin second order Møller-Plesset theory with improved physical description of long-range dispersion interactions
Rohini C Lochan, Yousung Jung, Martin Head-Gordon
The Journal of Chemical Physics
|
March 24, 2016
Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies
Paul R Horn, Yuezhi Mao, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
July 2, 2019
Third-Order Møller-Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions
Luke W Bertels, Joonho Lee, Martin Head-Gordon
Journal of the American Chemical Society
|
October 10, 2002
Characterization of the relevant excited states in the photodissociation of CO-ligated hemoglobin and myoglobin
Andreas Dreuw, Barry D Dunietz, Martin Head-Gordon
Biophysical Journal
|
August 27, 2013
Embedding Aβ42 in heterogeneous membranes depends on cholesterol asymmetries
Nicoletta Liguori, Paul S Nerenberg, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2011
Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent tests
Narbe Mardirossian, John A Parkhill, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (211-220 of 649) with videos related to
Sort By:
Page
of 65
The Journal of Chemical Physics
|
June 24, 2017
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C
Jonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 25, 2007
Localized orbital theory and ammonia triborane
Joseph E Subotnik, Alex Sodt, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America
|
December 15, 1991
A strategy for finding classes of minima on a hypersurface: implications for approaches to the protein folding problem
T Head-Gordon, F H Stillinger, J Arrecis
Journal of Chemical Theory and Computation
|
February 19, 2015
Efficient implementation of the pair atomic resolution of the identity approximation for exact exchange for hybrid and range- separated density functionals
Samuel F Manzer, Evgeny Epifanovsky, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
July 13, 2006
Scaled opposite spin second order Møller-Plesset theory with improved physical description of long-range dispersion interactions
Rohini C Lochan, Yousung Jung, Martin Head-Gordon
The Journal of Chemical Physics
|
March 24, 2016
Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies
Paul R Horn, Yuezhi Mao, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
July 2, 2019
Third-Order Møller-Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions
Luke W Bertels, Joonho Lee, Martin Head-Gordon
Journal of the American Chemical Society
|
October 10, 2002
Characterization of the relevant excited states in the photodissociation of CO-ligated hemoglobin and myoglobin
Andreas Dreuw, Barry D Dunietz, Martin Head-Gordon
Biophysical Journal
|
August 27, 2013
Embedding Aβ42 in heterogeneous membranes depends on cholesterol asymmetries
Nicoletta Liguori, Paul S Nerenberg, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2011
Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent tests
Narbe Mardirossian, John A Parkhill, Martin Head-Gordon
Page
of 65