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Gaussian Job Archive for C7H3MnO6

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posted on 2012-11-04, 08:59 authored by Henry S. RzepaHenry S. Rzepa

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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Organic chemistry not elsewhere classified

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InChI=1S/C2H3O.5CO.Mn/c1-2-3;5*1-2;/h1H3;;;;;;InChIKey=HSHGZSOJMSYWAG-UHFFFAOYSA-N [Mn]([C][O])(C(=O)C)([C][O])([C][O])[C][O].[C]=O C7H3MnO6 irc(calcall,maxpoints=150,maxcycle=40,tight,cartesian,stepsize=10)w Organic Chemistry

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