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Journal of Chemical Theory and Computation
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September 5, 2018
Energy Decomposition Analysis for Excimers Using Absolutely Localized Molecular Orbitals within Time-Dependent Density Functional Theory and Configuration Interaction with Single Excitations
Qinghui Ge, Martin Head-Gordon
The Journal of Chemical Physics
|
February 17, 2018
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
Qinghui Ge, Yuezhi Mao, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
April 5, 2018
On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes
Yuezhi Mao, Qinghui Ge, Paul R Horn, et al.
The Journal of Physical Chemistry Letters
|
August 16, 2015
A Guided Stochastic Energy-Domain Formulation of the Second Order Møller-Plesset Perturbation Theory
Qinghui Ge, Yi Gao, Roi Baer, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Superposition of Fragment Excitations for Excited States of Large Clusters with Application to Helium Clusters
Kristina D Closser, Qinghui Ge, Yuezhi Mao, et al.
Infection, Genetics and Evolution : Journal of Molecular Epidemiology and Evolutionary Genetics in Infectious Diseases
|
June 14, 2016
Association of human leukocyte antigen DP/DQ gene polymorphisms with chronic hepatitis B in Chinese Han and Uygur populations
Xin Xiang, Yuxuan Guo, Li Yang, et al.
The Journal of Chemical Physics
|
February 3, 2017
Simulating the absorption spectra of helium clusters (N = 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitations
Qinghui Ge, Yuezhi Mao, Alec F White, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 13, 2018
Two-dimensional electronic-vibrational spectroscopic study of conical intersection dynamics: an experimental and electronic structure study
Eric C Wu, Qinghui Ge, Eric A Arsenault, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
September 5, 2018
Energy Decomposition Analysis for Excimers Using Absolutely Localized Molecular Orbitals within Time-Dependent Density Functional Theory and Configuration Interaction with Single Excitations
Qinghui Ge, Martin Head-Gordon
The Journal of Chemical Physics
|
February 17, 2018
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
Qinghui Ge, Yuezhi Mao, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
April 5, 2018
On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes
Yuezhi Mao, Qinghui Ge, Paul R Horn, et al.
The Journal of Physical Chemistry Letters
|
August 16, 2015
A Guided Stochastic Energy-Domain Formulation of the Second Order Møller-Plesset Perturbation Theory
Qinghui Ge, Yi Gao, Roi Baer, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Superposition of Fragment Excitations for Excited States of Large Clusters with Application to Helium Clusters
Kristina D Closser, Qinghui Ge, Yuezhi Mao, et al.
Infection, Genetics and Evolution : Journal of Molecular Epidemiology and Evolutionary Genetics in Infectious Diseases
|
June 14, 2016
Association of human leukocyte antigen DP/DQ gene polymorphisms with chronic hepatitis B in Chinese Han and Uygur populations
Xin Xiang, Yuxuan Guo, Li Yang, et al.
The Journal of Chemical Physics
|
February 3, 2017
Simulating the absorption spectra of helium clusters (N = 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitations
Qinghui Ge, Yuezhi Mao, Alec F White, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 13, 2018
Two-dimensional electronic-vibrational spectroscopic study of conical intersection dynamics: an experimental and electronic structure study
Eric C Wu, Qinghui Ge, Eric A Arsenault, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1