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Martin Head-Gordon

Showing results (1-10 of 438) with videos related to

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The Journal of Chemical Physics|March 19, 2008
Hartree-Fock exchange computed using the atomic resolution of the identity approximationAlex Sodt, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|June 4, 2009
Electronic structures and reaction dynamics of open-shell speciesJingsong Zhang, Martin Head-Gordon
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 6, 2003
How diradicaloid is a stable diradical?Yousung Jung, Martin Head-Gordon
The Journal of Physical Chemistry Letters|October 20, 2018
Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation NumberDiptarka Hait, Martin Head-Gordon
The Journal of Physical Chemistry. B|February 26, 2014
Separate electronic attenuation allowing a spin-component-scaled second-order Møller-Plesset theory to be effective for both thermochemistry and noncovalent interactionsMatthew Goldey, Martin Head-Gordon
Journal of the American Chemical Society|March 25, 2004
Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexesAndreas Dreuw, Martin Head-Gordon
Chemical Reviews|November 10, 2005
Single-reference ab initio methods for the calculation of excited states of large moleculesAndreas Dreuw, Martin Head-Gordon
Journal of Chemical Theory and Computation|February 5, 2020
Excited State Orbital Optimization via Minimizing the Square of the Gradient: General Approach and Application to Singly and Doubly Excited States via Density Functional TheoryDiptarka Hait, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|January 17, 2014
ωB97X-V: a 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategyNarbe Mardirossian, Martin Head-Gordon
The Journal of Physical Chemistry Letters|August 21, 2015
Attenuating Away the Errors in Inter- and Intramolecular Interactions from Second-Order Møller-Plesset Calculations in the Small Aug-cc-pVDZ Basis SetMatthew Goldey, Martin Head-Gordon
Pageof 44

Showing results (1-10 of 438) with videos related to

Sort By:
Pageof 44
The Journal of Chemical Physics|March 19, 2008
Hartree-Fock exchange computed using the atomic resolution of the identity approximationAlex Sodt, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|June 4, 2009
Electronic structures and reaction dynamics of open-shell speciesJingsong Zhang, Martin Head-Gordon
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 6, 2003
How diradicaloid is a stable diradical?Yousung Jung, Martin Head-Gordon
The Journal of Physical Chemistry Letters|October 20, 2018
Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation NumberDiptarka Hait, Martin Head-Gordon
The Journal of Physical Chemistry. B|February 26, 2014
Separate electronic attenuation allowing a spin-component-scaled second-order Møller-Plesset theory to be effective for both thermochemistry and noncovalent interactionsMatthew Goldey, Martin Head-Gordon
Journal of the American Chemical Society|March 25, 2004
Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexesAndreas Dreuw, Martin Head-Gordon
Chemical Reviews|November 10, 2005
Single-reference ab initio methods for the calculation of excited states of large moleculesAndreas Dreuw, Martin Head-Gordon
Journal of Chemical Theory and Computation|February 5, 2020
Excited State Orbital Optimization via Minimizing the Square of the Gradient: General Approach and Application to Singly and Doubly Excited States via Density Functional TheoryDiptarka Hait, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|January 17, 2014
ωB97X-V: a 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategyNarbe Mardirossian, Martin Head-Gordon
The Journal of Physical Chemistry Letters|August 21, 2015
Attenuating Away the Errors in Inter- and Intramolecular Interactions from Second-Order Møller-Plesset Calculations in the Small Aug-cc-pVDZ Basis SetMatthew Goldey, Martin Head-Gordon
Pageof 44