| 1 |
Theoretical Investigation of Mechanisms for the Gas-Phase Unimolecular Decomposition of DMMP
Yang L, Shroll RM, Zhang JX, Lourderaj U, Hase WL
Journal of Physical Chemistry A, 113(49), 13762, 2009 |
| 2 |
Modeling the organic nitrate yields in the reaction of alkyl peroxy radicals with nitric oxide. 1. Electronic structure calculations and thermochemistry
Lohr LL, Barker JR, Shroll RM
Journal of Physical Chemistry A, 107(38), 7429, 2003 |
| 3 |
Modeling the organic nitrate yields in the reaction of alkyl peroxy radicals with nitric oxide. 2. Reaction simulations
Barker JR, Lohr LL, Shroll RM, Reading S
Journal of Physical Chemistry A, 107(38), 7434, 2003 |
| 4 |
Empirical potentials for rovibrational energy transfer of hydrogen fluoride in collisions with argon
Shroll RM, Lohr LL, Barker JR
Journal of Chemical Physics, 115(10), 4573, 2001 |
| 5 |
Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling
Shroll RM, Smith DE
Journal of Chemical Physics, 110(17), 8295, 1999 |
| 6 |
Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling
Shroll RM, Smith DE
Journal of Chemical Physics, 111(19), 9025, 1999 |
