Potential energy surfaces for the Walden inversion reaction

A semi-empirical valence bond calculation of potential surfaces for the gas phase reaction between methyl bromide and chloride ion is described. The system is treated in a four participant electron approximation with precautions to include the effects of orthogonalization to the core electrons not i...

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Veröffentlicht in:	Molecular physics 1970-11, Vol.19 (5), p.625-643
Hauptverfasser:	Woolley, Anne M., Child, M.S.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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