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Theoretical Study of Hydroxyisoprene Alkoxy Radicals and Their Decomposition Pathways

✍ Scribed by Lei, Wenfang; Zhang, Renyi


Book ID
126245160
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
197 KB
Volume
105
Category
Article
ISSN
1089-5639

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Ab initio molecular orbital calculations with split-valence plus polarization basis sets and incorporating valenceelectron correlation have been performed to determine the equilibrium structure of ethyloxonium (I CH,CH,OH, 1 +) and examine its modes of unimolecular dissociation. An asymmetric struct