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Head-Gordon

Showing results (391-400 of 626) with videos related to

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Physical Chemistry Chemical Physics : PCCP|April 5, 2016
A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interactionAndreas W Hauser, Paul R Horn, Martin Head-Gordon, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Computational Characterization of Redox Non-Innocence in Cobalt-Bis(Diaryldithiolene)-Catalyzed Proton ReductionJulien A Panetier, Christopher S Letko, T Don Tilley, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Molecular view of water dynamics near model peptidesDaniela Russo, Rajesh K Murarka, John R D Copley, et al.
The Journal of Physical Chemistry Letters|October 29, 2021
Crossed Beam Experiments and Computational Studies of Pathways to the Preparation of Singlet Ethynylsilylene (HCCSiH; X<sup>1</sup>A'): The Silacarbene Counterpart of Triplet Propargylene (HCCCH; X<sup>3</sup>B)Adam Rettig, Martin Head-Gordon, Srinivas Doddipatla, et al.
Journal of the American Chemical Society|October 1, 2009
The influence of protein dynamics on the success of computational enzyme designJory Z Ruscio, Jonathan E Kohn, K Aurelia Ball, et al.
Physical Chemistry Chemical Physics : PCCP|October 24, 2009
Spectroscopic investigation of the species involved in the rhodium-catalyzed oxidative carbonylation of toluene to toluic acidJoseph Zakzeski, Sarah Burton, Andrew Behn, et al.
Proceedings of the National Academy of Sciences of the United States of America|December 1, 1992
Poly(L-alanine) as a universal reference material for understanding protein energies and structuresT Head-Gordon, F H Stillinger, M H Wright, et al.
Physical Chemistry Chemical Physics : PCCP|November 22, 2012
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flipsFranziska Bell, Paul M Zimmerman, David Casanova, et al.
The Journal of Physical Chemistry. B|March 27, 2012
Optimizing solute-water van der Waals interactions to reproduce solvation free energiesPaul S Nerenberg, Brian Jo, Clare So, et al.
Physical Chemistry Chemical Physics : PCCP|February 14, 2022
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, <i>ab initio</i> electronic states in the adiabatic representationJustin J Talbot, Martin Head-Gordon, William H Miller, et al.
Pageof 63

Showing results (391-400 of 626) with videos related to

Sort By:
Pageof 63
Physical Chemistry Chemical Physics : PCCP|April 5, 2016
A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interactionAndreas W Hauser, Paul R Horn, Martin Head-Gordon, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Computational Characterization of Redox Non-Innocence in Cobalt-Bis(Diaryldithiolene)-Catalyzed Proton ReductionJulien A Panetier, Christopher S Letko, T Don Tilley, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Molecular view of water dynamics near model peptidesDaniela Russo, Rajesh K Murarka, John R D Copley, et al.
The Journal of Physical Chemistry Letters|October 29, 2021
Crossed Beam Experiments and Computational Studies of Pathways to the Preparation of Singlet Ethynylsilylene (HCCSiH; X<sup>1</sup>A'): The Silacarbene Counterpart of Triplet Propargylene (HCCCH; X<sup>3</sup>B)Adam Rettig, Martin Head-Gordon, Srinivas Doddipatla, et al.
Journal of the American Chemical Society|October 1, 2009
The influence of protein dynamics on the success of computational enzyme designJory Z Ruscio, Jonathan E Kohn, K Aurelia Ball, et al.
Physical Chemistry Chemical Physics : PCCP|October 24, 2009
Spectroscopic investigation of the species involved in the rhodium-catalyzed oxidative carbonylation of toluene to toluic acidJoseph Zakzeski, Sarah Burton, Andrew Behn, et al.
Proceedings of the National Academy of Sciences of the United States of America|December 1, 1992
Poly(L-alanine) as a universal reference material for understanding protein energies and structuresT Head-Gordon, F H Stillinger, M H Wright, et al.
Physical Chemistry Chemical Physics : PCCP|November 22, 2012
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flipsFranziska Bell, Paul M Zimmerman, David Casanova, et al.
The Journal of Physical Chemistry. B|March 27, 2012
Optimizing solute-water van der Waals interactions to reproduce solvation free energiesPaul S Nerenberg, Brian Jo, Clare So, et al.
Physical Chemistry Chemical Physics : PCCP|February 14, 2022
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, <i>ab initio</i> electronic states in the adiabatic representationJustin J Talbot, Martin Head-Gordon, William H Miller, et al.
Pageof 63