A Theoretical Investigation on the Wurster's Crown Analogue of 18-Crown-6

An ab initio, quantum mechanical study of the Wurster's crown analogue of 18-crown-6 and its interactions with the alkali metal cations are presented. This study explores methods for accurately treating large, electron-rich species while providing an understanding of the molecular behavior of a...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (10), p.3826-3837
Hauptverfasser:	Sargent, Andrew L, Mosley, Brian J, Sibert, John W
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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