Benjamin C. Shepler, Ph.D.
Affiliations: | 2006 | Washington State University, Pullman, WA, United States | |
2010- | Georgia Gwinnett College |
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"Benjamin Shepler"Mean distance: 10.27 | S | N | B | C | P |
Parents
Sign in to add mentorKirk 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 |