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Title: Combined quantum chemical/RRKM-ME computational study of the phenyl plus ethylene, vinyl plus benzene, and H plus styrene reactions
Journal: J. Phys. Chem. A
Volume: 108
Page(s): 9697 - 9714
Year: 2004
Reference type: Journal article
Squib: 2004TOK/LIN9697-9714
Reaction:
Styrene + H· → Products
Reaction order:
2
Rate expression:
no rate data available
Category: Theory
Data type:
Data too complex to abstract
Comments:
G2M(RCC5) (variant), weak collision master equation/RRKM analysis (addition channels) and transition state theory with Eckart tunneling corrections (abstraction channels), many detailed microscopic rate coefficients for individual processes, high level thermochem.
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