Thanh N. Truong
Thanh N. Truong
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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
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
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
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
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
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
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
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
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
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
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
Acetylcholinesterase: electrostatic steering increases the rate of ligand binding
RC Tan, TN Truong, JA McCammon, JL Sussman
Biochemistry 32 (2), 401-403, 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
Optimized atomic radii for quantum dielectric continuum solvation models
EV Stefanovich, TN Truong
Chemical Physics Letters 244 (1-2), 65-74, 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
VKLab version 1.0
S Zhang, TN Truong
University of Utah, 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
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
Potential primary pyrolysis processes for disilane
MS Gordon, TN Truong, EK Bonderson
Journal of the American Chemical Society 108 (7), 1421-1427, 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
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