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Computational Study on the Thermochemistry of Cyclopentadiene Derivatives and Kinetics of Cyclopentadienone Thermal Decomposition

✍ Scribed by Wang, Hai; Brezinsky, Kenneth


Book ID
126841628
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
189 KB
Volume
102
Category
Article
ISSN
1089-5639

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## Abstract Thermal decomposition of cyclopentadiene to __c__‐C~5~H~5~ (cyclopentadienyl radical) + H (1) and the reverse bimolecular reaction (βˆ’1) are studied quantum‐chemically at the G2M level of theory. The dissociation pathway has been mapped out following the minimum energy path on the potent