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Conformational analysis of 1,2-dibromo-2-methylpentane

✍ Scribed by G.A. Crowder


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
121 KB
Volume
178
Category
Article
ISSN
0022-2860

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Generalized gradient approximation density functional theory calculations at BP, B3P, BLYP and B3LYP levels coupled with a series of basis sets of increasing quality are presented for the six gauche conformers of 1,2-ethanediol. The results show that the extent of the correlation effects depends on