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Head-Gordon

Showing results (71-80 of 649) with videos related to

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Protein Science : a Publication of the Protein Society|March 27, 2004
Intermediates and the folding of proteins L and GScott Brown, Teresa Head-Gordon
The Journal of Chemical Physics|May 10, 2018
Communication: xDH double hybrid functionals can be qualitatively incorrect for non-equilibrium geometries: Dipole moment inversion and barriers to radical-radical association using XYG3 and XYGJ-OSDiptarka Hait, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|June 16, 2006
A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimerYousung Jung, Martin Head-Gordon
The Journal of Chemical Physics|August 22, 2008
The spin-flip extended single excitation configuration interaction methodDavid Casanova, Martin Head-Gordon
The Journal of Physical Chemistry. A|December 23, 2016
Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller-Plesset Perturbation Theory and Application to Anion-π InteractionsJonathan Thirman, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 25, 2015
Fast Sparse Cholesky Decomposition and Inversion using Nested Dissection Matrix ReorderingKai Brandhorst, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America|June 27, 2019
Water is not a dynamic polydisperse branched polymerTeresa Head-Gordon, Francesco Paesani
The Journal of Physical Chemistry Letters|June 27, 2019
Probing Blue-Shifting Hydrogen Bonds with Adiabatic Energy Decomposition AnalysisYuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics|May 17, 2014
Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion correctionsNarbe Mardirossian, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|October 25, 2024
Near equivalence of polarizability and bond order flux metrics for describing covalent bond rearrangementsLukas Kim, Teresa Head-Gordon
Pageof 65

Showing results (71-80 of 649) with videos related to

Sort By:
Pageof 65
Protein Science : a Publication of the Protein Society|March 27, 2004
Intermediates and the folding of proteins L and GScott Brown, Teresa Head-Gordon
The Journal of Chemical Physics|May 10, 2018
Communication: xDH double hybrid functionals can be qualitatively incorrect for non-equilibrium geometries: Dipole moment inversion and barriers to radical-radical association using XYG3 and XYGJ-OSDiptarka Hait, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|June 16, 2006
A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimerYousung Jung, Martin Head-Gordon
The Journal of Chemical Physics|August 22, 2008
The spin-flip extended single excitation configuration interaction methodDavid Casanova, Martin Head-Gordon
The Journal of Physical Chemistry. A|December 23, 2016
Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller-Plesset Perturbation Theory and Application to Anion-π InteractionsJonathan Thirman, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 25, 2015
Fast Sparse Cholesky Decomposition and Inversion using Nested Dissection Matrix ReorderingKai Brandhorst, Martin Head-Gordon
Proceedings of the National Academy of Sciences of the United States of America|June 27, 2019
Water is not a dynamic polydisperse branched polymerTeresa Head-Gordon, Francesco Paesani
The Journal of Physical Chemistry Letters|June 27, 2019
Probing Blue-Shifting Hydrogen Bonds with Adiabatic Energy Decomposition AnalysisYuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics|May 17, 2014
Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion correctionsNarbe Mardirossian, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|October 25, 2024
Near equivalence of polarizability and bond order flux metrics for describing covalent bond rearrangementsLukas Kim, Teresa Head-Gordon
Pageof 65