Predictive a priori pressure-dependent kinetics

“Third-Body” collision efficiencies for combustion modeling: Hydrocarbons in atomic and diatomic baths

(2015) Ahren W. Jasper et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Anharmonic state counts and partition functions for molecules via classical phase space integrals in curvilinear coordinates

(2013) Eugene Kamarchik et al.   JOURNAL OF CHEMICAL PHYSICS

Collision Efficiency of Water in the Unimolecular Reaction CH4 (+H2O) ⇆ CH3 + H (+H2O): One-Dimensional and Two-Dimensional Solutions of the Low-Pressure-Limit Master Equation

(2013) Ahren W. Jasper et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Predictive Theory for the Addition and Insertion Kinetics of 1CH2 Reacting with Unsaturated Hydrocarbons

(2013) Daniela Polino et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Uncertainty propagation in the derivation of phenomenological rate coefficients from theory: A case study of n-propyl radical oxidation

(2012) C. Franklin Goldsmith et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Shock Tube and Theoretical Studies on the Thermal Decomposition of Propane: Evidence for a Roaming Radical Channel

(2011) R. Sivaramakrishnan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Unimolecular Kinetics for CH4+ M ⇄ CH3+ H + M in Eight Baths, M = He, Ne, Ar, Kr, H2, N2, CO, and CH4

(2011) Ahren W. Jasper et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Collisional Energy Transfer Probability DensitiesP(E,J;E′,J′) for Monatomics Colliding with Large Molecules

(2010) John R. Barker et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Collisional Energy Transfer in Unimolecular Reactions: Direct Classical Trajectories for CH4⇄ CH3+ H in Helium

(2009) Ahren W. Jasper et al.   JOURNAL OF PHYSICAL CHEMISTRY A