An Ab Initio study of the permanganate ion

Albert P. Mortola; Harold Basch; Jules W. Moskowitz

doi:10.1002/qua.560070410

An Ab Initio study of the permanganate ion

Albert P. Mortola, Harold Basch, Jules W. Moskowitz

Department of Chemistry

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19 Scopus citations

Abstract

An ab initio self‐consistent computation has been performed on the permanganate ion (MnO 4−) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentally from photoelectron spectroscopy, ESCA, optical spectroscopy and magnetic circular dichroism.

Original language	English
Pages (from-to)	725-737
Number of pages	13
Journal	International Journal of Quantum Chemistry
Volume	7
Issue number	4
DOIs	https://doi.org/10.1002/qua.560070410
State	Published - Jul 1973

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abstract = "An ab initio self‐consistent computation has been performed on the permanganate ion (MnO 4−) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentally from photoelectron spectroscopy, ESCA, optical spectroscopy and magnetic circular dichroism.",

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An Ab Initio study of the permanganate ion

Abstract

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