Publications
Found 332 results
Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water. Journal of Physical Chemistry A. 104:10576-86.
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2000. Formation of Polycyclic Aromatic Hydrocarbons and their Radicals in a Nearly Sooting Premixed Benzene Flame. Proceedings of the Combustion Institute. :2609-18.
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2000. A priori Falloff Analysis for OH + NO2. International Journal of Chemical Kinetics. 32:245-262.
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2000. Hydrogen Abstraction Rates via Density Functional Theory. Chemical Physics Letters. 312:262.
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1999. Learnings from Exchange-Correlation Potentials. Chemical Physics Letters. 290:465.
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1998. .
1998. Exchange-Correlation Functionals from Ab Initio Electron Densities. Chemical Physics Letters. 273:183.
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1997. Rate-Based Construction of Kinetic Models for Complex Systems. Journal of Physical Chemistry A. 101:3731-40.
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1997. Electronic Structures and Geometries of C60 Anions via Density Functional Calculations. Journal of Physical Chemistry. 100:14892-8.
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1996. Dramatic Solvent Effects on the Absolute Rate Constants for Abstraction of the Hydroxylic Hydrogen Atom from tert-Butyl Hydroperoxide and Phenol by the Cumyloxyl Radical. The Role of Hydrogen Bonding. Journal of the American Chemical Society. 117:2929-30.
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1995. .
1994.
Predictive Chemical Kinetics: Density-Functional and Hartree-Fock Calculations on Free Radical Reaction Transition States. International Journal of Quantum Chemistry. 52:837-847.
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1994. Stimulated Emission Pumping as a Probe of the OH (X 2?) + Ar Intermolecular Potential Energy Surface Molecular Dynamics & Spectroscopy by Stimulated Emission Pumping.
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1994. A Study of the Ground Electronic State of the Isomers of CHNO. Molecular Physics. 78:319-343.
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1993. A Perturbation Theory Guide to Open- Shell Complexes: OH-Ar (X2?) Journal of Chemical Physics. 96:2573.
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1992. Unimolecular Reaction Rates and Transition States. Annual Review of Physical Chemistry. 43:591-626.
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1992. Anharmonic vibrational properties of CH2F2: A comparison of theory & experiment. Journal of Chemical Physics. 95:8323.
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1991. Bond-Breaking without Barriers II: Vibrationally Excited Products. Journal of Chemical Physics. 94:1961.
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1991. SPECTRO - a program for derivation of spectroscopic constants from provided quartic force fields and cubic dipole fields. Advances in Molecular Vibrations and Collision Dynamics. :169-185.
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1991. Theoretical Assignment of the Visible Spectrum of Singlet Methylene. Journal of Chemical Physics. 94:118.
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1991. Vibration- Rotation Coordinates and Kinetic Energy Operators for Polyatomic Molecules. Molecular Physics. 73:1183-1208.
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1991. Ab Initio Prediction of Fundamental, Overtone, and Combination Band Infrared Intensities. Chemical Physics Letters. 169:127.
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1990. Anharmonic Corrections to Vibrational Transition Intensities. Journal of Physical Chemistry. 94:5608.
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1990. The High Resolution Spectroscopy of Dissociating Molecules. Philosophical Transactions of the Royal Society of London A. 332:297.
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1990. The Prediction of Spectroscopic Properties from Quartic Correlated Force Fields: HCCF, HFCO, and SiH3+. Journal of Chemical Physics. 93:4965.
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1990.