Thermal decomposition of decalin: An ab initio study

Journal of Organic Chemistry

Volumn 72, Issue 9, 2007, Pages 3179-3185

  Chae, Kyungchan ^a   Violi, Angela ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DISSOCIATION; HIGH PRESSURE EFFECTS; POTENTIAL ENERGY SURFACES; PYROLYSIS; RATE CONSTANTS; XYLENE;

DECALIN; MONOAROMATIC SPECIES; PYROLYTIC CONDITIONS; TRANSITION STATE THEORY;

ORGANIC COMPOUNDS;

BENZENE; CARBON; DECALIN; ETHYLBENZENE; STYRENE; TOLUENE; XYLENE;

AB INITIO CALCULATION; ADDITION REACTION; ARTICLE; CHEMICAL REACTION KINETICS; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY ABSORPTION; FREQUENCY MODULATION; GEOMETRY; HYPERBARISM; MATHEMATICAL GENETICS; REACTION ANALYSIS; RICE RAMSPERGER KASSEL MARCUS THEORY; SURFACE PROPERTY; THEORETICAL MODEL; THERMAL ANALYSIS;

EID: 34247576109     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo062324x     Document Type: Article

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