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Head-Gordon

Showing results (111-120 of 649) with videos related to

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Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Accelerated, energy-conserving Born-Oppenheimer molecular dynamics via Fock matrix extrapolationJohn M Herbert, Martin Head-Gordon
Journal of Chemical Theory and Computation|December 2, 2015
Improved Energy Selection of Nativelike Protein Loops from Loop DecoysMatthew S Lin, Teresa Head-Gordon
Journal of Chemical Theory and Computation|November 26, 2015
Optimizing Protein-Solvent Force Fields to Reproduce Intrinsic Conformational Preferences of Model PeptidesPaul S Nerenberg, Teresa Head-Gordon
Journal of the American Chemical Society|March 12, 2016
Experimental Inferential Structure Determination of Ensembles for Intrinsically Disordered ProteinsDavid H Brookes, Teresa Head-Gordon
Journal of the American Chemical Society|August 2, 2019
Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid IsomeraseValerie Vaissier Welborn, Teresa Head-Gordon
The Journal of Physical Chemistry Letters|August 12, 2015
Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin-Flip RequiredNicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics|March 3, 2016
Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculationsPaul R Horn, Martin Head-Gordon
The Journal of Physical Chemistry. A|May 6, 2021
Assessment of Performance of Density Functionals for Predicting Potential Energy Curves in Hydrogen Storage ApplicationsSrimukh Prasad Veccham, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America|September 16, 2006
First-principles, quantum-mechanical simulations of electron solvation by a water clusterJohn M Herbert, Martin Head-Gordon
The Journal of Physical Chemistry. A|July 13, 2006
Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-John M Herbert, Martin Head-Gordon
Pageof 65

Showing results (111-120 of 649) with videos related to

Sort By:
Pageof 65
Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Accelerated, energy-conserving Born-Oppenheimer molecular dynamics via Fock matrix extrapolationJohn M Herbert, Martin Head-Gordon
Journal of Chemical Theory and Computation|December 2, 2015
Improved Energy Selection of Nativelike Protein Loops from Loop DecoysMatthew S Lin, Teresa Head-Gordon
Journal of Chemical Theory and Computation|November 26, 2015
Optimizing Protein-Solvent Force Fields to Reproduce Intrinsic Conformational Preferences of Model PeptidesPaul S Nerenberg, Teresa Head-Gordon
Journal of the American Chemical Society|March 12, 2016
Experimental Inferential Structure Determination of Ensembles for Intrinsically Disordered ProteinsDavid H Brookes, Teresa Head-Gordon
Journal of the American Chemical Society|August 2, 2019
Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid IsomeraseValerie Vaissier Welborn, Teresa Head-Gordon
The Journal of Physical Chemistry Letters|August 12, 2015
Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin-Flip RequiredNicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics|March 3, 2016
Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculationsPaul R Horn, Martin Head-Gordon
The Journal of Physical Chemistry. A|May 6, 2021
Assessment of Performance of Density Functionals for Predicting Potential Energy Curves in Hydrogen Storage ApplicationsSrimukh Prasad Veccham, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America|September 16, 2006
First-principles, quantum-mechanical simulations of electron solvation by a water clusterJohn M Herbert, Martin Head-Gordon
The Journal of Physical Chemistry. A|July 13, 2006
Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-John M Herbert, Martin Head-Gordon
Pageof 65