Reactions between Li Atoms and HX (X = F, Cl) Molecules:  Semiempirical SCF MO and Matrix Isolation ESR Studies

Examination of reaction between the Li atom and the HX (X = F, Cl) molecule by a semiempirical molecular orbital method (AM1) revealed the spontaneous formation of the Li:HCl and Li:HF complexes with the respective heats of complexation of 75 and 84 kJ/mol. The calculations yielded totally different...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2000-05, Vol.104 (19), p.4514-4520
1. Verfasser:	Kasai, Paul H
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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