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- Computational Engineering and Science Program at the University of Utah
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- Adsorption of Nitrogen Monoxide and Carbon Monoxide on Copper-Exchanged ZSM-5: A Cluster and Embedded Cluster Study
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- A direct ab inifio dynamics approach for calculating thermal rate constants using variational transition state theory
- A combined quantum-classical dynamics method for calculating thermal rate constants of chemical reactions in solution
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- High-Level ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics: NO2 and HONO Elimination from Dimethylnitramine
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- Theoretical Study of Mechanisms, Thermodynamics, and Kinetics of the Decomposition of Gas-Phase r-HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)
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- Primary and Solvent Kinetic Isotope Effects in the Water-Assisted Tautomerization of Formamidine: An ab Initio Direct Dynamics Study
- A Simple Method for Incorporating Madelung Field Effects into ab Initio Embedded Cluster Calculations of Crystals and Macromolecules
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- 30 April 1999 Z .Chemical Physics Letters 304 1999 258264
- Kinetics of Hydrogen Abstraction Reactions from Polycyclic Aromatic Hydrocarbons by H Angela Violi,*, Thanh N. Truong, and Adel F. Sarofim
- Analytical first and second energy derivatives of the generalized conductorlike screening model for free energy of solvation
- Thermal Rate Constants of the NO2 Fission Reaction of Gas Phase r-HMX: A Direct ab Initio Dynamics Study
- Quantum Mechanical Study of Molecular Weight Growth Process by Combination of Aromatic Molecules
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- Application of Density Functional Theory to the Study of the Reaction of NO with Char-Bound Nitrogen during Combustion
- Branching Ratio and Pressure Dependent Rate Constants of Multichannel Unimolecular Decomposition of Gas-Phase r-HMX: An Ab Initio Dynamics Study
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- A general methodology for quantum modeling of free-energy profile of reactions in solution: An application to the Menshutkin NH3 CH3Cl
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- First-Principles Kinetics of CO Desorption from Oxygen Species on Carbonaceous Surface Alejandro Montoya, Fanor Mondragon,*, and Thanh N. Truong*,
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- Optimizing Efficiency of Perturbative Monte Carlo Method
- Theoretical Study of Adsorption of Water Dimer on the Perfect MgO(100) Surface: Molecular Adsorption versus Dissociative Chemisorption
- Theoretical Studies of Solid-Liquid Interfaces: Molecular Interactions at the MgO(001)-Water Interface
- An ab initio study of solvent shifts in vibrational spectra Eugene V. Stefanovicha)
- CO Desorption from Oxygen Species on Carbonaceous Surface: 1. Effects of the Local Structure of the Active Site and the Surface Coverage
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- Kinetics of Hydrogen Abstraction Reaction Class H + H-C(sp3): First-Principles Predictions Using the Reaction Class Transition State Theory
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