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JOURNALS // Mendeleev Communications // Archive
Mendeleev Commun., 1997 Volume 7, Issue 2, Pages 80–82 (Mi mendc4793)
This article is cited in 4 papers

A theoretical study of internal rotation in H2BOBH2 and H2BNBH2–

R. M. Minyaev, E. A. Lepin

Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

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.

Language: English

DOI: 10.1070/MC1997v007n02ABEH000717



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