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Gaussian Job Archive for C6H3MnO5

dataset

posted on 2012-10-02, 05:26 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/5CO.CH3.Mn/c5*1-2;;/h;;;;;1H3;InChIKey=KJJLHDHVFFAISC-UHFFFAOYSA-N [Mn]([C][O])([C][O])([C][O])([C][O])([C][O])C C6H3MnO5 irc=(maxpoints=250,recalc=4,calcfc,maxcycle=40,tight,stepsize=6)wb9 Organic Chemistry

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