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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 RungeThe 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 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 TaylorJournal 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 WrightComputational 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 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.Langmuir : the ACS Journal of Surfaces and Colloids|October 28, 2020
Effect of Ligand Adsorption on the Electronic Properties of the PbS(100) SurfaceAbu Asaduzzaman, Keith Runge, Pierre Deymier, et al.Scientific Reports|December 21, 2021
Experimental classical entanglement in a 16 acoustic qubit-analogueM Arif Hasan, Keith Runge, Pierre A DeymierJournal of Molecular Biology|January 29, 2002
Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent proteinRabi A Musah, Gerard M Jensen, Steven W Bunte, et al.Pageof 4