An ab initio study of the mechanism of the cycloaddition reaction forming bicyclic compounds between vinylidene (H2C=C:) and ethylene

The mechanism of the cycloaddition reaction forming a bicyclic compounds between singlet vinylidene (H2C=C:) and ethylene was investigated using the CCSD(T)//MP2/6-31G* method. From the potential energy profile, it can be predicted that this reaction has one dominant channel. The presented rule of t...

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Bibliographic Details
Main Authors: YONGQING LI, ZHENXIA LIAN, XIUHUI LU
Format: Article
Language:English
Published: Serbian Chemical Society 2011-05-01
Series:Journal of the Serbian Chemical Society
Subjects:
Online Access:http://www.shd.org.rs/JSCS/Vol76/No5/09_4854_4155.pdf