검색결과 : 37건
| No. | Article |
|---|---|
| 1 |
Anharmonic Rovibrational Partition Functions at High Temperatures: Tests of Reduced-Dimensional Models for Systems with up to Three Fluxional Modes Jasper AW, Harding LB, Knight C, Georgievskii Y Journal of Physical Chemistry A, 123(29), 6210, 2019 |
| 2 |
Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals Jasper AW, Gruey ZB, Harding LB, Georgievskii Y, Klippenstein SJ, Wagner AF Journal of Physical Chemistry A, 122(6), 1727, 2018 |
| 3 |
First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO2 Cagnina S, Nicolle A, de Bruin T, Georgievskii Y, Klippenstein SJ Journal of Physical Chemistry A, 121(9), 1909, 2017 |
| 4 |
Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo Harding LB, Georgievskii Y, Klippenstein SJ Journal of Physical Chemistry A, 121(22), 4334, 2017 |
| 5 |
Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular Oxygen Goldsmith CF, Harding LB, Georgievskii Y, Miller JA, Klippenstein SJ Journal of Physical Chemistry A, 119(28), 7766, 2015 |
| 6 |
Thermal Dissociation and Roaming Isomerization of Nitromethane: Experiment and Theory Annesley CJ, Randazzo JB, Klippenstein SJ, Harding LB, Jasper AW, Georgievskii Y, Ruscic B, Tranter RS Journal of Physical Chemistry A, 119(28), 7872, 2015 |
| 7 |
Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions Georgievskii Y, Miller JA, Burke MP, Klippenstein SJ Journal of Physical Chemistry A, 117(46), 12146, 2013 |
| 8 |
Predictive Theory for the Addition and Insertion Kinetics of (CH2)-C-1 Reacting with Unsaturated Hydrocarbons Polino D, Klippenstein SJ, Harding LB, Georgievskii Y Journal of Physical Chemistry A, 117(48), 12677, 2013 |
| 9 |
Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory Sivaramakrishnan R, Michael JV, Wagner AF, Dawes R, Jasper AW, Harding LB, Georgievskii Y, Klippenstein SJ Combustion and Flame, 158(4), 618, 2011 |
| 10 |
Statistical Theory for the Kinetics and Dynamics of Roaming Reactions Klippenstein SJ, Georgievskii Y, Harding LB Journal of Physical Chemistry A, 115(50), 14370, 2011 |