Trends in inversion barriers. I: Group-15 hydrides

Inversion barriers for the group-15 hydrides NH3, PH3, AsH3, SbH3 and BiH3 have been studied using ab initio self-consistent-field methods including electron correlation and relativistic effects. A modified symmetric inversion potential is introduced to describe the inversion from the minimum C3v ar...

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Veröffentlicht in:	The Journal of chemical physics 1992-05, Vol.96 (9), p.6807-6819
Hauptverfasser:	SCHWERDTFEGER, P, LAAKKONEN, L. J, PYYKKÖ, P
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Corrections to electronic structure Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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