| 1 |
A QM/MM direct dynamics trajectory investigation of trimethylene decomposition in an argon bath
Bolton K, Hase WL, Doubleday C
Journal of Physical Chemistry B, 103(18), 3691, 1999 |
| 2 |
Direct dynamics quasiclassical trajectory study of the thermal stereomutations of cyclopropane
Doubleday C, Bolton K, Hase WL
Journal of Physical Chemistry A, 102(21), 3648, 1998 |
| 3 |
Microcanonical transition state theory rate coefficients from thermal rate constants via inverse Laplace transformation
Venkatesh PK, Carr RW, Cohen MH, Dean AM
Journal of Physical Chemistry A, 102(42), 8104, 1998 |
| 4 |
Temperature-Dependence of the Rate Constants and Branching Ratios for the Reactions of Cl-(D2O)(1-3) with Ch3Br and Thermal-Dissociation Rates for Cl-(Ch3Br)
Seeley JV, Morris RA, Viggiano AA, Wang HB, Hase WL
Journal of the American Chemical Society, 119(3), 577, 1997 |
| 5 |
Kinetics of F-+ch3Cl S(N)2 Nucleophilic-Substitution
Wang HB, Hase WL
Journal of the American Chemical Society, 119(13), 3093, 1997 |
| 6 |
Linear Free-Energy of Activation Relationship for Barrierless Association Reactions
Desainteclaire P, Peslherbe GH, Wang HB, Hase WL
Journal of the American Chemical Society, 119(21), 5007, 1997 |
| 7 |
Comparison of Zero-Point Energy Constrained and Quantum Anharmonic Rice-Ramsperger-Kassel-Marcus and Phase-Space Theory Rate Constants for Al-3 Dissociation
Peslherbe GH, Hase WL
Journal of Chemical Physics, 104(23), 9445, 1996 |
| 8 |
Comparison of Ab-Initio and Empirical Potentials for H-Atom Association with Diamond Surfaces
Desainteclaire P, Song KY, Hase WL, Brenner DW
Journal of Physical Chemistry, 100(5), 1761, 1996 |
| 9 |
Tetramethylene Optimized by Mrci and by Casscf with a Multiply Polarized Basis-Set
Doubleday C
Journal of Physical Chemistry, 100(37), 15083, 1996 |
| 10 |
Direct Dynamics Simulation of the Lifetime of Trimethylene
Doubleday C, Bolton K, Peslherbe GH, Hase WL
Journal of the American Chemical Society, 118(41), 9922, 1996 |
