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Benjamin C. Shepler, Ph.D. - Publications

Affiliations: 
2006 Washington State University, Pullman, WA, United States 
 2010- Georgia Gwinnett College 
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24 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Fu B, Shepler BC, Bowman JM. Three-state trajectory surface hopping studies of the photodissociation dynamics of formaldehyde on ab initio potential energy surfaces. Journal of the American Chemical Society. 133: 7957-68. PMID 21526775 DOI: 10.1021/Ja201559R  0.519
2011 Wang Y, Huang X, Shepler BC, Braams BJ, Bowman JM. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer. The Journal of Chemical Physics. 134: 094509. PMID 21384987 DOI: 10.1063/1.3554905  0.488
2011 Bowman JM, Shepler BC. Roaming radicals. Annual Review of Physical Chemistry. 62: 531-53. PMID 21219149 DOI: 10.1146/annurev-physchem-032210-103518  0.308
2011 Han YC, Shepler BC, Bowman JM. Quasiclassical trajectory calculations of the dissociation dynamics of CH3CHO at high energy yield many products Journal of Physical Chemistry Letters. 2: 1715-1719. DOI: 10.1021/Jz200719X  0.422
2011 Shepler BC, Han Y, Bowman JM. Are roaming and conventional saddle points for H2CO and CH 3CHO dissociation to molecular products isolated from each other? Journal of Physical Chemistry Letters. 2: 834-838. DOI: 10.1021/Jz2002138  0.434
2010 Bowman JM, Braams BJ, Carter S, Chen C, Czakó G, Fu B, Huang X, Kamarchik E, Sharma AR, Shepler BC, Wang Y, Xie Z. Ab-initio-based potential energy surfaces for complex molecules and molecular complexes Journal of Physical Chemistry Letters. 1: 1866-1874. DOI: 10.1021/Jz100626H  0.367
2009 Wang Y, Shepler BC, Braams BJ, Bowman JM. Full-dimensional, ab initio potential energy and dipole moment surfaces for water. The Journal of Chemical Physics. 131: 054511. PMID 19673578 DOI: 10.1063/1.3196178  0.52
2009 Chen C, Shepler BC, Braams BJ, Bowman JM. Quasiclassical trajectory calculations of the HO2 + NO reaction on a global potential energy surface. Physical Chemistry Chemical Physics : Pccp. 11: 4722-7. PMID 19492125 DOI: 10.1039/B823031E  0.486
2009 Sharma AR, Braams BJ, Carter S, Shepler BC, Bowman JM. Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl. The Journal of Chemical Physics. 130: 174301. PMID 19425770 DOI: 10.1063/1.3120607  0.513
2009 Czakó G, Shepler BC, Braams BJ, Bowman JM. Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4-->HF+CH3 reaction. The Journal of Chemical Physics. 130: 084301. PMID 19256605 DOI: 10.1063/1.3068528  0.385
2008 Shepler BC, Epifanovsky E, Zhang P, Bowman JM, Krylov AI, Morokuma K. Photodissociation dynamics of formaldehyde initiated at the T1/S0 minimum energy crossing configurations. The Journal of Physical Chemistry. A. 112: 13267-70. PMID 19053567 DOI: 10.1021/Jp808410P  0.462
2008 Du S, Francisco JS, Shepler BC, Peterson KA. Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations. The Journal of Chemical Physics. 128: 204306. PMID 18513018 DOI: 10.1063/1.2919569  0.614
2007 Shepler BC, Balabanov NB, Peterson KA. Hg+Br-->HgBr recombination and collision-induced dissociation dynamics. The Journal of Chemical Physics. 127: 164304. PMID 17979335 DOI: 10.1063/1.2777142  0.727
2007 Chen C, Shepler BC, Braams BJ, Bowman JM. Quasiclassical trajectory calculations of the OH+NO2 association reaction on a global potential energy surface. The Journal of Chemical Physics. 127: 104310. PMID 17867750 DOI: 10.1063/1.2764076  0.541
2007 Shepler BC, Braams BJ, Bowman JM. Quasiclassical trajectory calculations of acetaldehyde dissociation on a global potential energy surface indicate significant non-transition state dynamics. The Journal of Physical Chemistry. A. 111: 8282-5. PMID 17676724 DOI: 10.1021/Jp074646Q  0.54
2007 Shepler BC, Wright AD, Balabanov NB, Peterson KA. Aqueous microsolvation of mercury halide species. The Journal of Physical Chemistry. A. 111: 11342-9. PMID 17595065 DOI: 10.1021/Jp072093D  0.715
2007 Peterson KA, Shepler BC, Singleton JM. The group 12 metal chalcogenides: An accurate multireference configuration interaction and coupled cluster study Molecular Physics. 105: 1139-1155. DOI: 10.1080/00268970701241664  0.655
2007 Shepler BC, Yang BH, Dhilip Kumar TJ, Stancil PC, Bowman JM, Balakrishnan N, Zhang P, Bodo E, Dalgarno A. Low energy H+CO scattering revisited CO rotational excitation with new potential surfaces Astronomy and Astrophysics. 475: L15-L18. DOI: 10.1051/0004-6361:20078693  0.339
2006 Peterson KA, Shepler BC, Figgen D, Stoll H. On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions. The Journal of Physical Chemistry. A. 110: 13877-83. PMID 17181347 DOI: 10.1021/Jp065887L  0.678
2006 Shepler BC, Peterson KA. Chemically accurate thermochemistry of cadmium: An ab initio study of Cd + XY (X = H, O, Cl, Br; Y = Cl, Br). The Journal of Physical Chemistry. A. 110: 12321-9. PMID 17078631 DOI: 10.1021/Jp063771J  0.626
2005 Balabanov NB, Shepler BC, Peterson KA. Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2. The Journal of Physical Chemistry. A. 109: 8765-73. PMID 16834279 DOI: 10.1021/Jp053415L  0.726
2005 Shepler BC, Balabanov NB, Peterson KA. Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O). The Journal of Physical Chemistry. A. 109: 10363-72. PMID 16833332 DOI: 10.1021/Jp0541617  0.736
2003 Shepler BC, Peterson KA. Mercury monoxide: A systematic investigation of its ground electronic state Journal of Physical Chemistry A. 107: 1783-1787. DOI: 10.1021/Jp027512F  0.656
2003 Shepler BC, Peterson KA. Mercury Monoxide: A Systematic Investigation of Its Ground Electronic State. Cheminform. 34. DOI: 10.1002/chin.200326001  0.44
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