Benjamin C. Shepler, Ph.D.

Affiliations: 
2006 Washington State University, Pullman, WA, United States 
 2010- Georgia Gwinnett College 
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Kirk A. Peterson grad student 2001-2006 WSU
 (Ab initio investigation of the thermochemistry, spectroscopy and dynamics of reactions between mercury and reactive halogen species.)
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Publications

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Fu B, Shepler BC, Bowman JM. (2011) 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
Wang Y, Huang X, Shepler BC, et al. (2011) 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
Bowman JM, Shepler BC. (2011) Roaming radicals. Annual Review of Physical Chemistry. 62: 531-53
Han YC, Shepler BC, Bowman JM. (2011) Quasiclassical trajectory calculations of the dissociation dynamics of CH3CHO at high energy yield many products Journal of Physical Chemistry Letters. 2: 1715-1719
Shepler BC, Han Y, Bowman JM. (2011) 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
Bowman JM, Braams BJ, Carter S, et al. (2010) Ab-initio-based potential energy surfaces for complex molecules and molecular complexes Journal of Physical Chemistry Letters. 1: 1866-1874
Wang Y, Shepler BC, Braams BJ, et al. (2009) Full-dimensional, ab initio potential energy and dipole moment surfaces for water. The Journal of Chemical Physics. 131: 054511
Chen C, Shepler BC, Braams BJ, et al. (2009) Quasiclassical trajectory calculations of the HO2 + NO reaction on a global potential energy surface. Physical Chemistry Chemical Physics : Pccp. 11: 4722-7
Sharma AR, Braams BJ, Carter S, et al. (2009) Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl. The Journal of Chemical Physics. 130: 174301
Czakó G, Shepler BC, Braams BJ, et al. (2009) Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4-->HF+CH3 reaction. The Journal of Chemical Physics. 130: 084301
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