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Theochem, v.538 no.1/3, 2001년, pp.19 - 27
Jursic, B.S. (Department of Chemistry, University of New Orleans, New Orleans, LA 70148, USA)
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AbstractSeveral pathways for the hydrogen molecule elimination from ethylene with the target being to obtain vinylidene were explored at the B3LYP/6-31G(d,p) theory level. It was determined that the most likely pathway in the formation of vinylidene is through 1,1-hydrogen molecule elimination from ...
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