Unusual Mode of Addition of 1,2-Alkadien
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Hikaru Sugita; Dr. Kazuhiko Mizuno; Toshiki Mori; Dr. Kakuzo Isagawa; Prof. Dr.
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Article
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1991
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John Wiley and Sons
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English
β 350 KB
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ses. Their relative total energies are 0, 0.4, 4.4 and -3.6 kcalmol-I , respectively.1111 Although the difference in energy between the (q2-0,C-HNCO)(q2-C,N-HNCO) and (q2-C,N-HNCO), isomers is small, the calculations are inconsistent with the observed structure. Next, we used molecular mechanics ca