Quantum chemical/vRRKM study on the ther
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I. V. Tokmakov; L. V. Moskaleva; M. C. Lin
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Article
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2004
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John Wiley and Sons
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English
โ 199 KB
## Abstract Thermal decomposition of cyclopentadiene to __c__โC~5~H~5~ (cyclopentadienyl radical) + H (1) and the reverse bimolecular reaction (โ1) are studied quantumโchemically at the G2M level of theory. The dissociation pathway has been mapped out following the minimum energy path on the potent