The unimolecular thermal decomposition of oxetane and its methyl derivatives: An Ab initio and RRKM calculations

Russian Journal of Physical Chemistry A

Volumn 86, Issue 8, 2012, Pages 1245-1249

  Shiroudi, A ^a   Tahan, A ^b   Zahedi, E ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Decomposition; Fall off pressure; Molecular modeling; RRKM; Unimolecular

Indexed keywords

AB INITIO; DECOMPOSITION PROCESS; DECOMPOSITION RATE; DECOMPOSITION REACTION; METHYL DERIVATIVES; OXETANES; QUANTUM MECHANICAL; RICE-RAMSPERGER-KASSEL-MARCUS; RRKM; RRKM CALCULATIONS; THERMAL UNIMOLECULAR DECOMPOSITION; UNIMOLECULAR;

DECOMPOSITION; MOLECULAR MODELING; OLEFINS; QUANTUM THEORY; RATE CONSTANTS;

CALCULATIONS;

EID: 84864597705     PISSN: 00360244     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0036024412060246     Document Type: Article

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