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Head-Gordon

Showing results (151-160 of 649) with videos related to

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The Journal of Chemical Physics|June 3, 2010
An implicit solvent coarse-grained lipid model with correct stress profileAlex J Sodt, Teresa Head-Gordon
The Journal of Chemical Physics|June 15, 2007
Single particle and collective hydration dynamics for hydrophobic and hydrophilic peptidesRajesh K Murarka, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP|August 19, 2011
Post-modern valence bond theory for strongly correlated electron spinsDavid W Small, Martin Head-Gordon
The Journal of Chemical Physics|August 3, 2014
Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlationNicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics|October 10, 2014
Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip requiredNicholas J Mayhall, Martin Head-Gordon
Nature Communications|September 30, 2020
Clarifying the quantum mechanical origin of the covalent chemical bondDaniel S Levine, Martin Head-Gordon
The Journal of Chemical Physics|October 15, 2018
Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur clusterDavid W Small, Martin Head-Gordon
Chemical Reviews|October 3, 2018
Computational Design of Synthetic EnzymesValerie Vaissier Welborn, Teresa Head-Gordon
Journal of Chemical Theory and Computation|July 1, 2020
Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 FunctionalsSrimukh Prasad Veccham, Martin Head-Gordon
The Journal of Chemical Physics|February 4, 2025
Repartitioning the Hamiltonian in many-body second-order Brillouin-Wigner perturbation theory: Uncovering new size-consistent modelsLinus Bjarne Dittmer, Martin Head-Gordon
Pageof 65

Showing results (151-160 of 649) with videos related to

Sort By:
Pageof 65
The Journal of Chemical Physics|June 3, 2010
An implicit solvent coarse-grained lipid model with correct stress profileAlex J Sodt, Teresa Head-Gordon
The Journal of Chemical Physics|June 15, 2007
Single particle and collective hydration dynamics for hydrophobic and hydrophilic peptidesRajesh K Murarka, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP|August 19, 2011
Post-modern valence bond theory for strongly correlated electron spinsDavid W Small, Martin Head-Gordon
The Journal of Chemical Physics|August 3, 2014
Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlationNicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics|October 10, 2014
Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip requiredNicholas J Mayhall, Martin Head-Gordon
Nature Communications|September 30, 2020
Clarifying the quantum mechanical origin of the covalent chemical bondDaniel S Levine, Martin Head-Gordon
The Journal of Chemical Physics|October 15, 2018
Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur clusterDavid W Small, Martin Head-Gordon
Chemical Reviews|October 3, 2018
Computational Design of Synthetic EnzymesValerie Vaissier Welborn, Teresa Head-Gordon
Journal of Chemical Theory and Computation|July 1, 2020
Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 FunctionalsSrimukh Prasad Veccham, Martin Head-Gordon
The Journal of Chemical Physics|February 4, 2025
Repartitioning the Hamiltonian in many-body second-order Brillouin-Wigner perturbation theory: Uncovering new size-consistent modelsLinus Bjarne Dittmer, Martin Head-Gordon
Pageof 65