John R Barker

Professor

Education:

Ph.D., M.S., Chemistry, Carnegie-Mellon University B.S., Hampden-Sydney College

Research:

Computational chemical kinetics and dynamics

Specializations and Research Interests

• Atmospheric Chemistry
• Fundamental studies of molecular energy transfer
• Chemical-dynamical modeling of elementary reactions
• Master equation modeling ("MultiWell" computer code suite)

Honors, Awards and Accomplishments

• Recipient of the H. Julian Allen Award (1986)
• AOSS Department Excellence in Teaching Award (1993, 1997)
• Host of the 19th Informal Conference on Photochemistry (Ann Arbor, 1990)
• Co-organizer of the Workshop on Large Molecule Energy Transfer (Adelaide, Australia 1996)
• An originator (with Louis J. Allamandola and A. G. G. M. Tielens) of the "PAH Hypothesis" — that polycyclic aromatic hydrocarbon species are abundant in the interstellar medium and in the outflows from carbon-rich stars

Professional Service

• Sigma Xi Phi Kappa Phi
• American Physical Society
• American Chemical Society
• American Geophysical Union

Publications

Selected publications:

1. Stimac, P. J., and J. R. Barker (2008), Non-RRKM Dynamics in the CH3O2 + NO Reaction System, J. Phys. Chem. A, 112, 2553-2562.
2.  Maranzana, A., J. R. Barker, and G. Tonachini (2007), Master Equation Simulations of Competing Unimolecular and Bimolecular Reactions: Application to OH Production in the Reaction of Acetyl Radical with O2, Phys. Chem. Chem. Phys., 9, 4129 - 4141.
3.  Liu, Y., L. L. Lohr, and J. R. Barker (2006), Quasi-classical Trajectory Simulations of OH(v) + NO2 → HONO2* → OH(v') + NO2: Capture and Vibrational Deactivation Rate Constants, J. Phys. Chem. A, 110, 1267-1277.
4.  Liu, Y., L. L. Lohr, and J. R. Barker (2005), Quasi-classical Trajectory Simulations of Intramolecular Vibrational Energy Redistribution in HONO2 and DONO2, J. Phys. Chem. B, 109, 8304-8309.
5.  Lohr, L. L., J. R. Barker, and R. M. Shroll (2003), Modeling the Organic Nitrate Yields in the Reaction of Alkyl Peroxy Radicals with Nitric Oxide. I. Electronic Structure Calculations and Thermochemistry, J. Phys. Chem. A., 107, 7429-7433.
6.  Golden, D. M., J. R. Barker, and L. L. Lohr (2003), Master Equation Models for the Pressure- and Temperature-Dependent Reactions HO + NO2 -> HONO2 and HO + NO2 -> HOONO, J. Phys. Chem. A, 107, 11057-11071.
7.  Barker, J. R., L. L. Lohr, R. M. Shroll, and S. Reading (2003), Modeling the Organic Nitrate Yields in the Reaction of Alkyl Peroxy Radicals with Nitric Oxide. II. Reaction Simulations, J. Phys. Chem. A., 107, 7434-7444.
8.  Barker, J. R., and D. M. Golden (2003), Master Equation Analysis of Pressure-Dependent Atmospheric Reactions, Chem. Rev., 103, 4577-4591.
9. Barker, J. R., L. M. Yoder, and K. D. King (2001), Feature Article: Vibrational Energy Transfer Modeling of Non-Equilibrium Polyatomic Reaction Systems, J. Phys. Chem. A, 105, 796-809.
10. Barker, J. R. (2001), Multiple-well, multiple-reaction-path unimolecular reaction systems. I. MultiWell computer program suite, Int. J. Chem. Kinetics, 33, 232-245.