1,3-hydrogen shift in propene radical ca
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Minh Tho Nguyen; L. Landuyt; L.G. Vanquickenborne
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Article
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1991
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Elsevier Science
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English
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The 1,3-hydrogen shifts in both the r-ionized and neutral forms of propene are studied by ab initio MO calculations. Stationary points are located at the (U)MPZ level and relative energies calculated at the (U)MP4 level with the 6-31G(d, p) basis set. As in neutral propene. the migratory process in