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The Journal of Chemical Physics
|
August 22, 2008
The spin-flip extended single excitation configuration interaction method
David Casanova, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
December 23, 2016
Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller-Plesset Perturbation Theory and Application to Anion-π Interactions
Jonathan Thirman, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
November 25, 2015
Fast Sparse Cholesky Decomposition and Inversion using Nested Dissection Matrix Reordering
Kai Brandhorst, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
June 27, 2019
Probing Blue-Shifting Hydrogen Bonds with Adiabatic Energy Decomposition Analysis
Yuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics
|
May 17, 2014
Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections
Narbe Mardirossian, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples
David Casanova, Martin Head-Gordon
The Journal of Chemical Physics
|
March 25, 2014
Non-orthogonal configuration interaction for the calculation of multielectron excited states
Eric J Sundstrom, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
April 18, 2017
Quantifying the Role of Orbital Contraction in Chemical Bonding
Daniel S Levine, Martin Head-Gordon
Annual Review of Chemical and Biomolecular Engineering
|
March 22, 2012
Quantum mechanical modeling of catalytic processes
Alexis T Bell, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
September 3, 2010
Modeling the charge transfer between alkali metals and polycyclic aromatic hydrocarbons using electronic structure methods
Thomas A Baker, Martin Head-Gordon
Page
of 44
Search research articles
Search
Showing results (41-50 of 438) with videos related to
Sort By:
Page
of 44
The Journal of Chemical Physics
|
August 22, 2008
The spin-flip extended single excitation configuration interaction method
David Casanova, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
December 23, 2016
Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller-Plesset Perturbation Theory and Application to Anion-π Interactions
Jonathan Thirman, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
November 25, 2015
Fast Sparse Cholesky Decomposition and Inversion using Nested Dissection Matrix Reordering
Kai Brandhorst, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
June 27, 2019
Probing Blue-Shifting Hydrogen Bonds with Adiabatic Energy Decomposition Analysis
Yuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics
|
May 17, 2014
Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections
Narbe Mardirossian, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples
David Casanova, Martin Head-Gordon
The Journal of Chemical Physics
|
March 25, 2014
Non-orthogonal configuration interaction for the calculation of multielectron excited states
Eric J Sundstrom, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
April 18, 2017
Quantifying the Role of Orbital Contraction in Chemical Bonding
Daniel S Levine, Martin Head-Gordon
Annual Review of Chemical and Biomolecular Engineering
|
March 22, 2012
Quantum mechanical modeling of catalytic processes
Alexis T Bell, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
September 3, 2010
Modeling the charge transfer between alkali metals and polycyclic aromatic hydrocarbons using electronic structure methods
Thomas A Baker, Martin Head-Gordon
Page
of 44