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Physical Chemistry Chemical Physics : PCCP
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October 24, 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples
David Casanova, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
April 22, 2017
Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
Yuezhi Mao, Yihan Shao, Jacek Dziedzic, et al.
Proteins
|
January 29, 2000
Redesigning the hydrophobic core of a model beta-sheet protein: destabilizing traps through a threading approach
J M Sorenson, T Head-Gordon
Journal of the American Chemical Society
|
November 22, 2001
Origin of substituent effects in the absorption spectra of peroxy radicals: time dependent density functional theory calculations
J L Weisman, M 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
ACS Nano
|
February 2, 2022
Evaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?
Luis Ruiz Pestana, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
August 17, 2010
A New and Efficient Poisson-Boltzmann Solver for Interaction of Multiple Proteins
Eng-Hui Yap, Teresa 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 65
Search research articles
Search
Showing results (81-90 of 649) with videos related to
Sort By:
Page
of 65
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
Journal of Chemical Theory and Computation
|
April 22, 2017
Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
Yuezhi Mao, Yihan Shao, Jacek Dziedzic, et al.
Proteins
|
January 29, 2000
Redesigning the hydrophobic core of a model beta-sheet protein: destabilizing traps through a threading approach
J M Sorenson, T Head-Gordon
Journal of the American Chemical Society
|
November 22, 2001
Origin of substituent effects in the absorption spectra of peroxy radicals: time dependent density functional theory calculations
J L Weisman, M 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
ACS Nano
|
February 2, 2022
Evaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?
Luis Ruiz Pestana, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
August 17, 2010
A New and Efficient Poisson-Boltzmann Solver for Interaction of Multiple Proteins
Eng-Hui Yap, Teresa 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 65