John Barker

Organization

University of Michigan

Email

Contact person by email

Business Phone

Work

:

(734) 763-6239

First Author Publications

Barker, J.R., et al. (2012), Kinetic Isotope Effects for Cl + CH4 ⇌ HCl + CH3 Calculated Using ab Initio Semiclassical Transition State Theory, J. Phys. Chem. A, 116, 6408-6419, doi:10.1021/jp212383u.
Barker, J.R., and R.E. Weston (2010), Collisional Energy Transfer Probability Densities P(E, J; E′, J′) for Monatomics Colliding with Large Molecules, J. Phys. Chem. A, 114, 10619-10633, doi:10.1021/jp106443d.
Barker, J.R. (2009), Energy Transfer in Master Equation Simulations: A New Approach, Int. J. Chem. Kinetics, 41, 748-763.
Barker, J.R., et al. (2006), CF3CH3 f HF + CF2CH2: A Non-RRKM Reaction?†, J. Phys. Chem. A, 110, 2944-2954, doi:10.1021/jp054510x.
Barker, J.R., and C.N. Shovlin (2004), An approximation for hindered rotor state energies a,b,* a,b, Chemical Physics Letters, 383, 203-207, doi:10.1016/j.cplett.2003.11.024.

Note: Only publications that have been uploaded to the ESD Publications database are listed here.

Co-Authored Publications

Weston, R.E., et al. (2013), HO + CO Reaction Rates and H/D Kinetic Isotope Effects: Master Equation Models with ab Initio SCTST Rate Constants, J. Phys. Chem. A, 117, 821-835, doi:10.1021/jp311928w.
Buszek, R.J., et al. (2012), Water Effect on the OH + HCl Reaction, J. Phys. Chem. A, 116, 4712-4719, doi:10.1021/jp3025107.
Nguyen, T.L., et al. (2012), Reaction of HO with CO: Tunneling Is Indeed Important, © XXXX American Chemical Society 1549 dx.doi.org/10.1021/jz300443a , J. Phys. Chem. Lett., 3, 1549−1553.
Golden, D.M., and J.R. Barker (2011), Pressure- and Temperature-Dependent Combustion Reactions, Combust. Flame, 158, 602-617, doi:10.1016/j.combust.
Nguyen, T.L., et al. (2011), Ab Initio Reaction Rate Constants Computed Using Semiclassical Transition-State Theory: HO þ H2 f H2O þ H and Isotopologues, J. Phys. Chem. A, 115, 5118-5126, doi:10.1021/jp2022743.
Nguyen, T.L., et al. (2011), Mechanism and Kinetics of the Reaction NO3 þ C2H4, J. Phys. Chem. A, 115, 4894-4901, doi:10.1021/jp200460b.
Nguyen, T.L., et al. (2010), A practical implementation of semi-classical transition state theory for polyatomics, Chemical Physics Letters, 499, 9-15, doi:10.1016/j.cplett.2010.09.015.
Nguyen, T.L., and J.R. Barker (2010), Sums and Densities of Fully Coupled Anharmonic Vibrational States: A Comparison of Three Practical Methods, J. Phys. Chem. A, 114, 3718-3730, doi:10.1021/jp100132s.
Maranzana, A., et al. (2008), Oxidation of Ethyne and But-2-yne. 2. Master Equation Simulations, J. Phys. Chem. A, 112, 3666-3675, doi:10.1021/jp077180k.
Maranzana, A., et al. (2008), Tropospheric Oxidation of Ethyne and But-2-yne. 1. Theoretical Mechanistic Study, J. Phys. Chem. A, 112, 3656-3665, doi:10.1021/jp077174o.
Stimac, P.J., and J.R. Barker (2008), Non-RRKM Dynamics in the CH3O2 + NO Reaction System, J. Phys. Chem. A, 112, 2553-2562, doi:10.1021/jp710016n.
Liu, J., and J.R. Barker (2007), On the Chaperon Mechanism: Application to ClO + ClO (+N2) f ClOOCl (+N2), J. Phys. Chem. A, 111, 8689-8698, doi:10.1021/jp072978p.
Maranzana, A., et al. (2007), Master equation simulations of competing unimolecular and bimolecular reactions: application to OH production in the reaction of acetyl radical with O2w, c the Owner Societies 2007 Phys. Chem. Chem. Phys., 2007, 9, doi:10.1039/.
Liu, Y., et al. (2006), Quasiclassical Trajectory Simulations of OH(v) + NO2 f HONO2* f OH(v′) + NO2: Capture and Vibrational Deactivation Rate Constants, J. Phys. Chem. A, 110, 1267-1277, doi:10.1021/jp053099a.
Stimac, P.J., and J.R. Barker (2006), Intramolecular Vibrational Energy Redistribution Involving the Torsion in CF3CH3: A Molecular Dynamics Study†, J. Phys. Chem. A, 110, 6851-6859, doi:10.1021/jp0568024.
Weston, R.E., and J.R. Barker (2006), On Modeling the Pressure-dependent Photoisomerization of trans-Stilbene by Including Slow Intramolecular Vibrational Energy Redistribution, J. Phys. Chem. A, 110, 7888-7897, doi:10.1021/jp061630b.
Liu, Y., et al. (2005), Quasi-Classical Trajectory Simulations of Intramolecular Vibrational Energy Redistribution in HONO2 and DONO2†, J. Phys. Chem. B, 109, 8304-8309, doi:10.1021/jp047436b.
Yu, X., et al. (2004), Free Radical Reactions Involving Cl•, Cl2-•, and SO4-• in the 248 nm Photolysis of Aqueous Solutions Containing S2O82- and Cl-, J. Phys. Chem. A, 108, 295-308, doi:10.1021/jp036211i.

Note: Only publications that have been uploaded to the ESD Publications database are listed here.

ESD Publications

National Aeronautics and Space Administration

National Aeronautics and
Space Administration