| 1 |
Three-State Trajectory Surface Hopping Studies of the Photodissociation Dynamics of Formaldehyde on ab Initio Potential Energy Surfaces
Fu BN, Shepler BC, Bowman JM
Journal of the American Chemical Society, 133(20), 7957, 2011 |
| 2 |
"Roaming" dynamics in CH3CHO photodissociation revealed on a global potential energy surface
Shepler BC, Braams BJ, Bowman JM
Journal of Physical Chemistry A, 112(39), 9344, 2008 |
| 3 |
Photodissociation Dynamics of Formaldehyde Initiated at the T-1/S-0 Minimum Energy Crossing Configurations
Shepler BC, Epifanovsky E, Zhang P, Bowman JM, Krylov AI, Morokuma K
Journal of Physical Chemistry A, 112(51), 13267, 2008 |
| 4 |
Aqueous microsolvation of mercury halide species
Shepler BC, Wright AD, Balabanov NB, Peterson KA
Journal of Physical Chemistry A, 111(44), 11342, 2007 |
| 5 |
Quasiclassical trajectory calculations of acetaldehyde dissociation on a global potential energy surface indicate significant non-transition state dynamics
Shepler BC, Braams BJ, Bowman JM
Journal of Physical Chemistry A, 111(34), 8282, 2007 |
| 6 |
Chemically accurate thermochemistry of cadmium: An ab initio study of Cd+XY (X = H, O, Cl, Br; Y=Cl, Br)
Shepler BC, Peterson KA
Journal of Physical Chemistry A, 110(44), 12321, 2006 |
| 7 |
On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions
Peterson KA, Shepler BC, Figgen D, Stoll H
Journal of Physical Chemistry A, 110(51), 13877, 2006 |
| 8 |
Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2
Balabanov NB, Shepler BC, Peterson KA
Journal of Physical Chemistry A, 109(39), 8765, 2005 |
| 9 |
Ab initio thermochemistry involving heavy atoms: An investigation of the reactions Hg+IX (X=1, Br, Cl, O)
Shepler BC, Balabanov NB, Peterson KA
Journal of Physical Chemistry A, 109(45), 10363, 2005 |
| 10 |
Mercury monoxide: A systematic investigation of its ground electronic state
Shepler BC, Peterson KA
Journal of Physical Chemistry A, 107(11), 1783, 2003 |
