| Molecular modeling of the kinetic isotope effect for the [1, 5]-sigmatropic rearrangement of cis-1, 3-pentadiene YP Liu, GC Lynch, TN Truong, DH Lu, DG Truhlar, BC Garrett Journal of the American Chemical Society 115 (6), 2408-2415, 1993 | 992 | 1993 |
| POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics D Lu, TN Truong, VS Melissas, GC Lynch, YP Liu, BC Garrett, R Steckler, ... Computer Physics Communications 71 (3), 235-262, 1992 | 617 | 1992 |
| A new method for incorporating solvent effect into the classical, ab initio molecular orbital and density functional theory frameworks for arbitrary shape cavity TN Truong, EV Stefanovich Chemical Physics Letters 240 (4), 253-260, 1995 | 352 | 1995 |
| Interpolated variational transition‐state theory: Practical methods for estimating variational transition‐state properties and tunneling contributions to chemical reaction … A Gonzalez‐Lafont, TN Truong, DG Truhlar The Journal of chemical physics 95 (12), 8875-8894, 1991 | 345 | 1991 |
| Direct dynamics calculations with NDDO (neglect of diatomic differential overlap) molecular orbital theory with specific reaction parameters A Gonzalez-Lafont, TN Truong, DG Truhlar The Journal of Physical Chemistry 95 (12), 4618-4627, 1991 | 334 | 1991 |
| TheRate: Program for ab initio direct dynamics calculations of thermal and vibrational‐state‐selected rate constants WT Duncan, RL Bell, TN Truong Journal of Computational Chemistry 19 (9), 1039-1052, 1998 | 321 | 1998 |
| Ab initio transition state theory calculations of the reaction rate for OH+ CH4→ H2O+ CH3 TN Truong, DG Truhlar The Journal of chemical physics 93 (3), 1761-1769, 1990 | 272 | 1990 |
| Ab initio and density functional theory studies of proton transfer reactions in multiple hydrogen bond systems Q Zhang, R Bell, TN Truong The Journal of Physical Chemistry 99 (2), 592-599, 1995 | 227 | 1995 |
| Theoretical study on mechanisms of the epoxy− amine curing reaction JE Ehlers, NG Rondan, LK Huynh, H Pham, M Marks, TN Truong Macromolecules 40 (12), 4370-4377, 2007 | 226 | 2007 |
| Spin contamination in hartree− fock and density functional theory wavefunctions in modeling of adsorption on graphite A Montoya, TN Truong, AF Sarofim The Journal of Physical Chemistry A 104 (26), 6108-6110, 2000 | 203 | 2000 |
| The definition of reaction coordinates for reaction‐path dynamics GA Natanson, BC Garrett, TN Truong, T Joseph, DG Truhlar The Journal of chemical physics 94 (12), 7875-7892, 1991 | 196 | 1991 |
| Acetylcholinesterase: electrostatic steering increases the rate of ligand binding RC Tan, TN Truong, JA McCammon, JL Sussman Biochemistry 32 (2), 401-403, 1993 | 190 | 1993 |
| Thermal and vibrational‐state selected rates of the CH4+Cl↔HCl+CH3 reaction WT Duncan, TN Truong The Journal of chemical physics 103 (22), 9642-9652, 1995 | 177 | 1995 |
| Optimized atomic radii for quantum dielectric continuum solvation models EV Stefanovich, TN Truong Chemical Physics Letters 244 (1-2), 65-74, 1995 | 162 | 1995 |
| CO desorption from oxygen species on carbonaceous surface: 1. Effects of the local structure of the active site and the surface coverage A Montoya, TTT Truong, F Mondragon, TN Truong The Journal of Physical Chemistry A 105 (27), 6757-6764, 2001 | 153 | 2001 |
| VKLab version 1.0 S Zhang, TN Truong University of Utah, 2001 | 150 | 2001 |
| A simple method for incorporating Madelung field effects into ab initio embedded cluster calculations of crystals and macromolecules EV Stefanovich, TN Truong The Journal of Physical Chemistry B 102 (16), 3018-3022, 1998 | 148 | 1998 |
| Application of the large-curvature tunneling approximation to polyatomic molecules: Abstraction of H or D by methyl radical BC Garrett, T Joseph, TN Truong, DG Truhlar Chemical physics 136 (2), 271-293, 1989 | 145 | 1989 |
| Potential primary pyrolysis processes for disilane MS Gordon, TN Truong, EK Bonderson Journal of the American Chemical Society 108 (7), 1421-1427, 1986 | 142 | 1986 |
| Direct ab initio dynamics studies of proton transfer in hydrogen‐bond systems RL Bell, TN Truong The Journal of chemical physics 101 (12), 10442-10451, 1994 | 141 | 1994 |
