| 1 |
Accelerating Variational Transition State Theory via Artificial Neural Networks
Chen X, Goldsmith CF
Journal of Physical Chemistry A, 124(5), 1038, 2020 |
| 2 |
Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations
Gorn MV, Gritsan NP, Goldsmith CF, Kiselev VG
Journal of Physical Chemistry A, 124(38), 7665, 2020 |
| 3 |
Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum
Blondal K, Jelic J, Mazeau E, Studt F, West RH, Goldsmith CF
Industrial & Engineering Chemistry Research, 58(38), 17682, 2019 |
| 4 |
Shock Tube Laser Schlieren Study of the Pyrolysis of Isopropyl Nitrate
Fuller ME, Goldsmith CF
Journal of Physical Chemistry A, 123(28), 5866, 2019 |
| 5 |
Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory
Kiselev VG, Goldsmith CF
Journal of Physical Chemistry A, 123(23), 4883, 2019 |
| 6 |
Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods Vitaly
Kiselev VG, Goldsmith CF
Journal of Physical Chemistry A, 123(45), 9818, 2019 |
| 7 |
The impact of roaming radicals on the combustion properties of transportation fuels
West RH, Goldsmith CF
Combustion and Flame, 194, 387, 2018 |
| 8 |
Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by O-3(2); Implications for Combustion Modeling and Simulation
Zhou CW, Simmie JM, Somers KP, Goldsmith CF, Curran HJ
Journal of Physical Chemistry A, 121(9), 1890, 2017 |
| 9 |
An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers
Lockhart JPA, Goldsmith CF, Randazzo JB, Ruscic B, Tranter RS
Journal of Physical Chemistry A, 121(20), 3827, 2017 |
| 10 |
A Theoretical and Computational Analysis of the Methyl-Vinyl + O-2 Reaction and Its Effects on Propene Combustion
Chen X, Goldsmith CF
Journal of Physical Chemistry A, 121(48), 9173, 2017 |
