From theoretical reaction dynamics to chemical modeling of combustion

Proceedings of the Combustion Institute

Volumn 36, Issue 1, 2017, Pages 77-111

  Klippenstein, Stephen J ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Ab initio electronic structure theory; Combustion chemistry; Master equation; Theoretical chemical kinetics; Transition state theory

Indexed keywords

ELECTRONIC STRUCTURE;

CHEMICAL MODEL; COMBUSTION CHEMISTRY; ELECTRONIC STRUCTURE THEORY; MASTER EQUATIONS; REACTION DYNAMICS; TRANSITION STATE THEORIES;

COMBUSTION;

EID: 84991239334     PISSN: 15407489     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.proci.2016.07.100     Document Type: Article

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