-
20002000
Computer Constructed Models for Complex Chemical Kinetics
Preprints of the ACS Division of Environmental Chemistry -
20002000
Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water
Journal of Physical Chemistry A10410576-86 -
20002000
Formation of Polycyclic Aromatic Hydrocarbons and their Radicals in a Nearly Sooting Premixed Benzene Flame
Proceedings of the Combustion Institute2609-18 -
1999
-
1998
-
1998
-
19971997
Rate-Based Construction of Kinetic Models for Complex Systems
Journal of Physical Chemistry A1013731-40 -
19971997
Exchange-Correlation Functionals from Ab Initio Electron Densities
Chemical Physics Letters273183 -
19961996
Electronic Structures and Geometries of C60 Anions via Density Functional Calculations
Journal of Physical Chemistry10014892-8 -
19951995
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 Society1172929-30 -
1994
-
19941994
Stimulated Emission Pumping as a Probe of the OH (X 2?) + Ar Intermolecular Potential Energy Surface
Molecular Dynamics & Spectroscopy by Stimulated Emission Pumping -
19941994
Predictive Chemical Kinetics: Density-Functional and Hartree-Fock Calculations on Free Radical Reaction Transition States
International Journal of Quantum Chemistry52837-847 -
1993
-
19921992
Unimolecular Reaction Rates and Transition States
Annual Review of Physical Chemistry43591-626 -
19921992
A Perturbation Theory Guide to Open- Shell Complexes: OH-Ar (X2?)
Journal of Chemical Physics962573 -
19911991
Theoretical Assignment of the Visible Spectrum of Singlet Methylene
Journal of Chemical Physics94118 -
19911991
SPECTRO – a program for derivation of spectroscopic constants from provided quartic force fields and cubic dipole fields
Advances in Molecular Vibrations and Collision Dynamics169-185 -
19911991
Bond-Breaking without Barriers II: Vibrationally Excited Products
Journal of Chemical Physics941961 -
19911991
Vibration- Rotation Coordinates and Kinetic Energy Operators for Polyatomic Molecules
Molecular Physics731183-1208 -
1991
-
19901990
Anharmonic Corrections to Vibrational Transition Intensities
Journal of Physical Chemistry945608 -
19901990
Ab Initio Prediction of Fundamental, Overtone, and Combination Band Infrared Intensities
Chemical Physics Letters169127 -
1990
-
19901990
The High Resolution Spectroscopy of Dissociating Molecules
Philosophical Transactions of the Royal Society of London A332297
Fundamental and Applied Chemical Kinetics