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Type: Artigo de periódico
Title: The Use Of Am1 In Structural Analyses Of Primary And Secondary Enaminones
Author: Eberlin M.N.
Takahata Y.
Kascheres C.
Abstract: The AM1 semiempirical method was employed to study the structural features of some primary and secondary acyclic and cyclic enaminones. This method was shown to be very suitable for these compounds, enabling the correct prediction of the more stable tautomer and geometric forms and other features such as strength of intramolecular hydrogen bonds and rotational barriers. In comparison, its predecessor, the MNDO method, very often gave incorrect or inconsistent results. © 1990.
Rights: fechado
Identifier DOI: 10.1016/0166-1280(90)85019-J
Date Issue: 1990
Appears in Collections:Unicamp - Artigos e Outros Documentos

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