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Spencer R Pruitt

Showing results (1-10 of 16) with videos related to

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The Journal of Physical Chemistry. A|February 9, 2017
Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann
The Journal of Physical Chemistry. A|April 25, 2012
Geometry optimizations of open-shell systems with the fragment molecular orbital methodSpencer R Pruitt, Dmitri G Fedorov, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP|September 29, 2015
Ab initio investigation of the aqueous solvation of the nitrate ionSpencer R Pruitt, Kurt R Brorsen, Mark S Gordon
The Journal of Physical Chemistry. B|November 25, 2014
Surface affinity of the hydronium ion: the effective fragment potential and umbrella samplingKurt R Brorsen, Spencer R Pruitt, Mark S Gordon
The Journal of Physical Chemistry. A|August 22, 2018
Proton Transfer in 1,2,4-Triazolium Dinitramide: Effect of Aqueous MicrosolvationJustin A Conrad, Spencer R Pruitt, Mark S Gordon
Accounts of Chemical Research|May 10, 2014
Efficient and accurate fragmentation methodsSpencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Fully Integrated Effective Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann, Jan H Jensen, et al.
Journal of Chemical Theory and Computation|November 29, 2015
Open-Shell Formulation of the Fragment Molecular Orbital MethodSpencer R Pruitt, Dmitri G Fedorov, Kazuo Kitaura, et al.
Chemical Reviews|August 27, 2011
Fragmentation methods: a route to accurate calculations on large systemsMark S Gordon, Dmitri G Fedorov, Spencer R Pruitt, et al.
Physical Chemistry Chemical Physics : PCCP|April 7, 2012
The fragment molecular orbital and systematic molecular fragmentation methods applied to water clustersSpencer R Pruitt, Matthew A Addicoat, Michael A Collins, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|February 9, 2017
Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann
The Journal of Physical Chemistry. A|April 25, 2012
Geometry optimizations of open-shell systems with the fragment molecular orbital methodSpencer R Pruitt, Dmitri G Fedorov, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP|September 29, 2015
Ab initio investigation of the aqueous solvation of the nitrate ionSpencer R Pruitt, Kurt R Brorsen, Mark S Gordon
The Journal of Physical Chemistry. B|November 25, 2014
Surface affinity of the hydronium ion: the effective fragment potential and umbrella samplingKurt R Brorsen, Spencer R Pruitt, Mark S Gordon
The Journal of Physical Chemistry. A|August 22, 2018
Proton Transfer in 1,2,4-Triazolium Dinitramide: Effect of Aqueous MicrosolvationJustin A Conrad, Spencer R Pruitt, Mark S Gordon
Accounts of Chemical Research|May 10, 2014
Efficient and accurate fragmentation methodsSpencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Fully Integrated Effective Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann, Jan H Jensen, et al.
Journal of Chemical Theory and Computation|November 29, 2015
Open-Shell Formulation of the Fragment Molecular Orbital MethodSpencer R Pruitt, Dmitri G Fedorov, Kazuo Kitaura, et al.
Chemical Reviews|August 27, 2011
Fragmentation methods: a route to accurate calculations on large systemsMark S Gordon, Dmitri G Fedorov, Spencer R Pruitt, et al.
Physical Chemistry Chemical Physics : PCCP|April 7, 2012
The fragment molecular orbital and systematic molecular fragmentation methods applied to water clustersSpencer R Pruitt, Matthew A Addicoat, Michael A Collins, et al.
Pageof 2