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The Journal of Chemical Physics
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January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnet
Joonho Lee, David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach
Srimukh Prasad Veccham, Joonho Lee, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America
|
September 10, 2003
Coarse-grained sequences for protein folding and design
Scott Brown, Nicolas J Fawzi, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2016
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Paul R Horn, Yuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics
|
September 1, 2006
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
Joseph E Subotnik, Alex Sodt, Martin Head-Gordon
The Journal of Chemical Physics
|
November 30, 2006
Linear scaling density fitting
Alex Sodt, Joseph E Subotnik, Martin Head-Gordon
The Journal of Chemical Physics
|
July 2, 2009
Transition state-finding strategies for use with the growing string method
Anthony Goodrow, Alexis T Bell, Martin Head-Gordon
Annual Review of Physical Chemistry
|
December 17, 2013
Advanced potential energy surfaces for condensed phase simulation
Omar Demerdash, Eng-Hui Yap, Teresa Head-Gordon
The Journal of Physical Chemistry. A
|
September 10, 2009
Performance of quasi-degenerate scaled opposite spin perturbation corrections to single excitation configuration interaction for excited state structures and excitation energies with application to the Stokes shift of 9-methyl-9,10-dihydro-9-silaphenanthrene
Young Min Rhee, David Casanova, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
November 18, 2015
Attenuated MP2 with a Long-Range Dispersion Correction for Treating Nonbonded Interactions
Matthew B Goldey, Bastien Belzunces, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (241-250 of 649) with videos related to
Sort By:
Page
of 65
The Journal of Chemical Physics
|
January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnet
Joonho Lee, David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach
Srimukh Prasad Veccham, Joonho Lee, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America
|
September 10, 2003
Coarse-grained sequences for protein folding and design
Scott Brown, Nicolas J Fawzi, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2016
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Paul R Horn, Yuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics
|
September 1, 2006
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
Joseph E Subotnik, Alex Sodt, Martin Head-Gordon
The Journal of Chemical Physics
|
November 30, 2006
Linear scaling density fitting
Alex Sodt, Joseph E Subotnik, Martin Head-Gordon
The Journal of Chemical Physics
|
July 2, 2009
Transition state-finding strategies for use with the growing string method
Anthony Goodrow, Alexis T Bell, Martin Head-Gordon
Annual Review of Physical Chemistry
|
December 17, 2013
Advanced potential energy surfaces for condensed phase simulation
Omar Demerdash, Eng-Hui Yap, Teresa Head-Gordon
The Journal of Physical Chemistry. A
|
September 10, 2009
Performance of quasi-degenerate scaled opposite spin perturbation corrections to single excitation configuration interaction for excited state structures and excitation energies with application to the Stokes shift of 9-methyl-9,10-dihydro-9-silaphenanthrene
Young Min Rhee, David Casanova, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
November 18, 2015
Attenuated MP2 with a Long-Range Dispersion Correction for Treating Nonbonded Interactions
Matthew B Goldey, Bastien Belzunces, Martin Head-Gordon
Page
of 65