Detailed kinetic study of the ring opening of cycloalkanes by CBS-QB3 calculations

Journal of Physical Chemistry A

Volumn 110, Issue 46, 2006, Pages 12693-12704

  Sirjean, B ^a   Glaude, P A ^a   Ruiz Lopez, M F ^b   Fournet, R ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

^b NANCY UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ISODESMIC REACTIONS; RING STRAIN ENERGIES (RSE); ROTATIONAL BARRIERS; THERMOCHEMICAL DATA;

DECOMPOSITION; MOLECULAR DYNAMICS; QUANTUM THEORY; RATE CONSTANTS; THERMAL EFFECTS;

PARAFFINS;

EID: 33846080157     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0651081     Document Type: Article

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