Reaction kinetics of a selected number of elementary processes involved in the thermal decomposition of 9-methylphenanthrene using density functional theory

Journal of Physical Chemistry A

Volumn 108, Issue 46, 2004, Pages 10302-10310

  De Bruin, Theodorus J M ^a   Lorant, François ^a   Toulhoat, Hervé ^a   Goddard III, William A ^b  

^a IFP ENERGIES NOUVELLES   (France)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRACENIC SYSTEM; BIOMOLECULAR REACTION; ENTROPIC EFFECTS; SELF CONSISTENT FIELD (SCF);

ACTIVATION ENERGY; ENTHALPY; GIBBS FREE ENERGY; MATHEMATICAL MODELS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; PYROLYSIS; REACTION KINETICS;

AROMATIC HYDROCARBONS;

EID: 9944255301     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0372486     Document Type: Article

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