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Head-Gordon

Showing results (11-20 of 649) with videos related to

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The Journal of Physical Chemistry Letters|January 21, 2025
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion InteractionsJoseph P Heindel, Lukas Kim, Martin Head-Gordon, et al.
Chemical Science|August 30, 2018
<i>Ab initio</i> molecular dynamics simulations of liquid water using high quality meta-GGA functionalsLuis Ruiz Pestana, Narbe Mardirossian, Martin Head-Gordon, et al.
Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics|August 1, 1993
Toy model for protein foldingStillinger, Head-Gordon, Hirshfeld
The Journal of Chemical Physics|November 4, 2017
Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculationsOmar Demerdash, Yuezhi Mao, Tianyi Liu, et al.
The Journal of Physical Chemistry. A|September 6, 2011
Exploring the rich energy landscape of sulfate-water clusters SO4(2-) (H2O)(n=3-7): an electronic structure approachDaniel S Lambrecht, Gary N I Clark, Teresa Head-Gordon, et al.
The Journal of Physical Chemistry Letters|October 15, 2021
Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis ApplicationsWan-Lu Li, Kaixuan Chen, Elliot Rossomme, et al.
The Journal of Physical Chemistry. A|March 17, 2011
Simulated photoelectron spectra of the cyanide-water anion via quasiclassical molecular dynamicsDaniel S Lambrecht, Gary N I Clark, Teresa Head-Gordon, et al.
Chemical Science|October 13, 2023
Greater transferability and accuracy of norm-conserving pseudopotentials using nonlinear core correctionsWan-Lu Li, Kaixuan Chen, Elliot Rossomme, et al.
The Journal of Chemical Physics|March 19, 2008
Hartree-Fock exchange computed using the atomic resolution of the identity approximationAlex Sodt, Martin Head-Gordon
Plos Computational Biology|August 5, 2011
The dynamical mechanism of auto-inhibition of AMP-activated protein kinaseCheng Peng, Teresa Head-Gordon
Pageof 65

Showing results (11-20 of 649) with videos related to

Sort By:
Pageof 65
The Journal of Physical Chemistry Letters|January 21, 2025
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion InteractionsJoseph P Heindel, Lukas Kim, Martin Head-Gordon, et al.
Chemical Science|August 30, 2018
<i>Ab initio</i> molecular dynamics simulations of liquid water using high quality meta-GGA functionalsLuis Ruiz Pestana, Narbe Mardirossian, Martin Head-Gordon, et al.
Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics|August 1, 1993
Toy model for protein foldingStillinger, Head-Gordon, Hirshfeld
The Journal of Chemical Physics|November 4, 2017
Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculationsOmar Demerdash, Yuezhi Mao, Tianyi Liu, et al.
The Journal of Physical Chemistry. A|September 6, 2011
Exploring the rich energy landscape of sulfate-water clusters SO4(2-) (H2O)(n=3-7): an electronic structure approachDaniel S Lambrecht, Gary N I Clark, Teresa Head-Gordon, et al.
The Journal of Physical Chemistry Letters|October 15, 2021
Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis ApplicationsWan-Lu Li, Kaixuan Chen, Elliot Rossomme, et al.
The Journal of Physical Chemistry. A|March 17, 2011
Simulated photoelectron spectra of the cyanide-water anion via quasiclassical molecular dynamicsDaniel S Lambrecht, Gary N I Clark, Teresa Head-Gordon, et al.
Chemical Science|October 13, 2023
Greater transferability and accuracy of norm-conserving pseudopotentials using nonlinear core correctionsWan-Lu Li, Kaixuan Chen, Elliot Rossomme, et al.
The Journal of Chemical Physics|March 19, 2008
Hartree-Fock exchange computed using the atomic resolution of the identity approximationAlex Sodt, Martin Head-Gordon
Plos Computational Biology|August 5, 2011
The dynamical mechanism of auto-inhibition of AMP-activated protein kinaseCheng Peng, Teresa Head-Gordon
Pageof 65