Density functional theory investigation of competitive free-radical processes during the thermal cracking of methylated polyaromatics: Estimation of kinetic parameters

Journal of Physical Chemistry A

Volumn 111, Issue 16, 2007, Pages 3082-3090

  Leininger, J Philippe ^a,b   Minot, Christian ^a   Lorant, François ^b   Behar, Françoise ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b IFP ENERGIES NOUVELLES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FREE RADICAL POLYMERIZATION; HYDROGEN; PYROLYSIS; RATE CONSTANTS; REACTION KINETICS;

METHYLATED POLYAROMATICS; THERMAL CRACKING;

POLYCYCLIC AROMATIC HYDROCARBONS;

EID: 34248342292     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0643956     Document Type: Article

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