Application of compound models for estimating rate constants of hydrocarbon thermal cracking reactions: The neopentyl radical β-scission reaction

Molecular Simulation

Volumn 31, Issue 9, 2005, Pages 615-621

  Zheng, Xiaobo ^a   Blowers, Paul ^a   Zhang, Nianliu ^a  

^a University of Arizona   (United States)

Author keywords

CBS method; Hydrocarbon cracking; Neopentyl radical; Rate constant

Indexed keywords

FREE RADICALS; HYDROCARBONS; HYDROGEN; QUANTUM THEORY; RATE CONSTANTS; REACTION KINETICS;

COMPLETE BASIS SET (CBS); HYDROCARBON CRACKING; NEOPENTYL RADICALS; THERMAL CRACKING;

CATALYTIC CRACKING;

EID: 23744441529     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500108437     Document Type: Conference Paper

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