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An Ab Initio study of the permanganate ion

✍ Scribed by Albert P. Mortola; Harold Basch; Jules W. Moskowitz

Publisher: John Wiley and Sons
Year: 1973
Tongue: English
Weight: 646 KB
Volume: 7
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560070410

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✦ Synopsis

Abstract

An ab initio self‐consistent computation has been performed on the permanganate ion (MnO) 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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