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DeCarlos E Taylor

Showing results (1-10 of 9) with videos related to

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The Journal of Physical Chemistry. A|April 10, 2013
Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theoryDeCarlos E Taylor
The Journal of Physical Chemistry. A|May 12, 2006
A pseudoatom approach to molecular truncation: application in ab initio MBPT methodsDeCarlos E Taylor, Steven W Bunte, Keith Runge
Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 21, 2012
The effects of stoichiometry on the mechanical properties of icosahedral boron carbide under loadingDeCarlos E Taylor, James W McCauley, T W Wright
Computational Biology and Chemistry|May 11, 2018
Mechanisms of acetylcholinesterase protection against sarin and soman by adenosine A<sub>1</sub> receptor agonist N<sup>6</sup>-cyclopentyladenosineAriana Beste, DeCarlos E Taylor, Tsung-Ming Shih, et al.
Physical Chemistry Chemical Physics : PCCP|August 24, 2011
A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force fieldDeCarlos E Taylor, Fazle Rob, Betsy M Rice, et al.
The Journal of Physical Chemistry. A|February 23, 2011
Theoretical methodology for prediction of tropospheric oxidation of dimethyl phosphonate and dimethyl methylphosphonateMarshall G Cory, DeCarlos E Taylor, Steven W Bunte, et al.
The Journal of Chemical Physics|March 17, 2016
A coarse-grain force field for RDX: Density dependent and energy conservingJoshua D Moore, Brian C Barnes, Sergei Izvekov, et al.
2D Materials|April 15, 2024
Van der Waals interfaces in epitaxial vertical metal/2D/3D semiconductor heterojunctions of monolayer <math><msub><mtext>MoS</mtext><mn>2</mn></msub></math> and GaNDmitry Ruzmetov, Mahesh R Neupane, Andrew Herzing, et al.
The Journal of Chemical Physics|October 27, 2016
Blind test of density-functional-based methods on intermolecular interaction energiesDeCarlos E Taylor, János G Ángyán, Giulia Galli, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. A|April 10, 2013
Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theoryDeCarlos E Taylor
The Journal of Physical Chemistry. A|May 12, 2006
A pseudoatom approach to molecular truncation: application in ab initio MBPT methodsDeCarlos E Taylor, Steven W Bunte, Keith Runge
Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 21, 2012
The effects of stoichiometry on the mechanical properties of icosahedral boron carbide under loadingDeCarlos E Taylor, James W McCauley, T W Wright
Computational Biology and Chemistry|May 11, 2018
Mechanisms of acetylcholinesterase protection against sarin and soman by adenosine A<sub>1</sub> receptor agonist N<sup>6</sup>-cyclopentyladenosineAriana Beste, DeCarlos E Taylor, Tsung-Ming Shih, et al.
Physical Chemistry Chemical Physics : PCCP|August 24, 2011
A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force fieldDeCarlos E Taylor, Fazle Rob, Betsy M Rice, et al.
The Journal of Physical Chemistry. A|February 23, 2011
Theoretical methodology for prediction of tropospheric oxidation of dimethyl phosphonate and dimethyl methylphosphonateMarshall G Cory, DeCarlos E Taylor, Steven W Bunte, et al.
The Journal of Chemical Physics|March 17, 2016
A coarse-grain force field for RDX: Density dependent and energy conservingJoshua D Moore, Brian C Barnes, Sergei Izvekov, et al.
2D Materials|April 15, 2024
Van der Waals interfaces in epitaxial vertical metal/2D/3D semiconductor heterojunctions of monolayer <math><msub><mtext>MoS</mtext><mn>2</mn></msub></math> and GaNDmitry Ruzmetov, Mahesh R Neupane, Andrew Herzing, et al.
The Journal of Chemical Physics|October 27, 2016
Blind test of density-functional-based methods on intermolecular interaction energiesDeCarlos E Taylor, János G Ángyán, Giulia Galli, et al.
Pageof 1