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The Journal of Physical Chemistry. A
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June 20, 2024
Occupied-Virtual Orbitals for Chemical Valence with Applications to Charge Transfer in Energy Decomposition Analysis
Hengyuan Shen, Martin Head-Gordon
Angewandte Chemie (International Ed. in English)
|
September 15, 2023
When Is a Bond Broken? The Polarizability Perspective
Diptarka Hait, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2019
Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls
Elliot Rossomme, Christianna N Lininger, Alexis T Bell, et al.
Journal of Chemical Theory and Computation
|
December 5, 2023
Doubles Connected Moments Expansion: A Tractable Approximate Horn-Weinstein Approach for Quantum Chemistry
Brad Ganoe, Martin Head-Gordon
Current Opinion in Structural Biology
|
May 3, 2003
Minimalist models for protein folding and design
Teresa Head-Gordon, Scott Brown
Physical Chemistry Chemical Physics : PCCP
|
February 15, 2019
Distinguishing artificial and essential symmetry breaking in a single determinant: approach and application to the C<sub>60</sub>, C<sub>36</sub>, and C<sub>20</sub> fullerenes
Joonho Lee, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
November 30, 2021
Dissociation of HCl in water nanoclusters: an energy decomposition analysis perspective
Alexander Zech, Martin Head-Gordon
The Journal of Chemical Physics
|
September 8, 2022
Non-iterative method for constructing valence antibonding molecular orbitals and a molecule-adapted minimum basis
Abdulrahman Aldossary, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
October 16, 2019
C-GeM: Coarse-Grained Electron Model for Predicting the Electrostatic Potential in Molecules
Itai Leven, Teresa Head-Gordon
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
Page
of 65
Search research articles
Search
Showing results (51-60 of 649) with videos related to
Sort By:
Page
of 65
The Journal of Physical Chemistry. A
|
June 20, 2024
Occupied-Virtual Orbitals for Chemical Valence with Applications to Charge Transfer in Energy Decomposition Analysis
Hengyuan Shen, Martin Head-Gordon
Angewandte Chemie (International Ed. in English)
|
September 15, 2023
When Is a Bond Broken? The Polarizability Perspective
Diptarka Hait, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2019
Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls
Elliot Rossomme, Christianna N Lininger, Alexis T Bell, et al.
Journal of Chemical Theory and Computation
|
December 5, 2023
Doubles Connected Moments Expansion: A Tractable Approximate Horn-Weinstein Approach for Quantum Chemistry
Brad Ganoe, Martin Head-Gordon
Current Opinion in Structural Biology
|
May 3, 2003
Minimalist models for protein folding and design
Teresa Head-Gordon, Scott Brown
Physical Chemistry Chemical Physics : PCCP
|
February 15, 2019
Distinguishing artificial and essential symmetry breaking in a single determinant: approach and application to the C<sub>60</sub>, C<sub>36</sub>, and C<sub>20</sub> fullerenes
Joonho Lee, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
November 30, 2021
Dissociation of HCl in water nanoclusters: an energy decomposition analysis perspective
Alexander Zech, Martin Head-Gordon
The Journal of Chemical Physics
|
September 8, 2022
Non-iterative method for constructing valence antibonding molecular orbitals and a molecule-adapted minimum basis
Abdulrahman Aldossary, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
October 16, 2019
C-GeM: Coarse-Grained Electron Model for Predicting the Electrostatic Potential in Molecules
Itai Leven, Teresa Head-Gordon
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
Page
of 65