| 1 |
Theoretical Methodology for Prediction of Tropospheric Oxidation of Dimethyl Phosphonate and Dimethyl Methylphosphonate
Cory MG, Taylor DE, Bunte SW, Runge K, Vasey JL, Burns DS
Journal of Physical Chemistry A, 115(10), 1946, 2011 |
| 2 |
A pseudoatom approach to molecular truncation: Application in ab initio MBPT methods
Taylor DE, Bunte SW, Runge K
Journal of Physical Chemistry A, 110(19), 6279, 2006 |
| 3 |
Molecular modeling of energetic materials: The parameterization and validation of nitrate esters in the COMPASS force field
Bunte SW, Sun H
Journal of Physical Chemistry B, 104(11), 2477, 2000 |
| 4 |
Energetics of cation radical formation at the proximal active site tryptophan of cytochrome c peroxidase and ascorbate peroxidase
Jensen GM, Bunte SW, Warshel A, Goodin DB
Journal of Physical Chemistry B, 102(42), 8221, 1998 |
| 5 |
An ab initio QCISD study of the potential energy surface for the reaction HNO+NO->N2O+OH
Bunte SW, Rice BM, Chabalowski CF
Journal of Physical Chemistry A, 101(49), 9430, 1997 |
| 6 |
Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity
Musah RA, Jensen GM, Rosenfeld RJ, McRee DE, Goodin DB, Bunte SW
Journal of the American Chemical Society, 119(38), 9083, 1997 |
| 7 |
Density-Functional and Mp2 Calculations of Spin-Densities of Oxidized 3-Methylindole - Models for Tryptophan Radicals
Jensen GM, Goodin DB, Bunte SW
Journal of Physical Chemistry, 100(3), 954, 1996 |
