Issue 2, 1997

A theoretical study of internal rotation in H2BOBH2 and H2BNBH2-

Abstract

It has been shown by using MP2(fc)/6-31G** and MP2(fc)/6-311+ +G** methods that the internal rotation of H2BNBH2- and H2BOBH2 allene structures occurs through the corresponding angle structures with a very small energy barrier.

Article information

Article type
Paper

Mendeleev Commun., 1997,7, 80-82

A theoretical study of internal rotation in H2BOBH2 and H2BNBH2-

R. M. Minyaev and E. A. Lepin, Mendeleev Commun., 1997, 7, 80 DOI: 10.1070/MC1997v007n02ABEH000717

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