Enumeration of the Conformers of Unbranched Aliphatic Alkanes

An effective one-electron quantum chemical method was applied to enumerate the conformers of unbranched aliphatic alkanes. The results obtained for butane, pentane, hexane, and heptane were utilized to derive four rules with which the number and sequences of the existing conformers up to undecane co...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 1998-09, Vol.102 (39), p.7698-7703
Hauptverfasser:	Tasi, Gyula, Mizukami, Fujio, Pálinkó, István, Csontos, József, Győrffy, Werner, Nair, Padmakumar, Maeda, Kazuyuki, Toba, Makoto, Niwa, Shu-ichi, Kiyozumi, Yoshimichi, Kiricsi, Imre
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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