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

✍ Scribed by Shiroudi, A.; Tahan, A.; Zahedi, E.

Book ID
114990132
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2012
Tongue
English
Weight
204 KB
Volume
86
Category
Article
ISSN
0036-0244

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Unimolecular dissociations of CFaH into (1) CF2(1AI ) + HF, (2) CF 3 + H and (3) CF2H + F were studied by means of RRKM and PST calculations on an ab initio potential energy surface. Activation energies for the three channels (1), ( 2) and (3) are 73.95, 108.20 and 130.02 kcal/mol at G2 level, respe