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Journal of Chemical Theory and Computation
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January 6, 2021
Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction
Luke W Bertels, Joonho Lee, Martin Head-Gordon
The Journal of Chemical Physics
|
May 2, 2008
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction
David Casanova, Young Min Rhee, Martin Head-Gordon
Journal of the American Chemical Society
|
April 7, 2017
The Importance of the Scaffold for de Novo Enzymes: A Case Study with Kemp Eliminase
Asmit Bhowmick, Sudhir C Sharma, Teresa Head-Gordon
The Journal of Chemical Physics
|
December 12, 2019
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states
Joonho Lee, David W Small, Martin Head-Gordon
Journal of the American Chemical Society
|
November 22, 2014
Hydrogen physisorption on metal-organic framework linkers and metalated linkers: a computational study of the factors that control binding strength
Ehud Tsivion, Jeffrey R Long, Martin Head-Gordon
The Journal of Chemical Physics
|
May 23, 2016
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory
Jonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Nano Letters
|
November 28, 2019
Diels-Alder Reactions in Water Are Determined by Microsolvation
Luis Ruiz Pestana, Hongxia Hao, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2017
Energy decomposition analysis in an adiabatic picture
Yuezhi Mao, Paul R Horn, Martin Head-Gordon
Biochemical Society Transactions
|
July 27, 2005
Role of electron-transfer quenching of chlorophyll fluorescence by carotenoids in non-photochemical quenching of green plants
A Dreuw, G R Fleming, M Head-Gordon
The Journal of Chemical Physics
|
April 26, 2011
The formulation and performance of a perturbative correction to the perfect quadruples model
John A Parkhill, Julian Azar, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (221-230 of 649) with videos related to
Sort By:
Page
of 65
Journal of Chemical Theory and Computation
|
January 6, 2021
Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction
Luke W Bertels, Joonho Lee, Martin Head-Gordon
The Journal of Chemical Physics
|
May 2, 2008
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction
David Casanova, Young Min Rhee, Martin Head-Gordon
Journal of the American Chemical Society
|
April 7, 2017
The Importance of the Scaffold for de Novo Enzymes: A Case Study with Kemp Eliminase
Asmit Bhowmick, Sudhir C Sharma, Teresa Head-Gordon
The Journal of Chemical Physics
|
December 12, 2019
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states
Joonho Lee, David W Small, Martin Head-Gordon
Journal of the American Chemical Society
|
November 22, 2014
Hydrogen physisorption on metal-organic framework linkers and metalated linkers: a computational study of the factors that control binding strength
Ehud Tsivion, Jeffrey R Long, Martin Head-Gordon
The Journal of Chemical Physics
|
May 23, 2016
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory
Jonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Nano Letters
|
November 28, 2019
Diels-Alder Reactions in Water Are Determined by Microsolvation
Luis Ruiz Pestana, Hongxia Hao, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2017
Energy decomposition analysis in an adiabatic picture
Yuezhi Mao, Paul R Horn, Martin Head-Gordon
Biochemical Society Transactions
|
July 27, 2005
Role of electron-transfer quenching of chlorophyll fluorescence by carotenoids in non-photochemical quenching of green plants
A Dreuw, G R Fleming, M Head-Gordon
The Journal of Chemical Physics
|
April 26, 2011
The formulation and performance of a perturbative correction to the perfect quadruples model
John A Parkhill, Julian Azar, Martin Head-Gordon
Page
of 65