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Gaussian Job Archive for C10H8N2O2

dataset

posted on 2012-11-19, 10:53 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/C10H8N2O2/c1-7-9(13)10(14)12(11-7)8-5-3-2-4-6-8/h2-6H,1H3 InChIKey=WZHUUJNRNMODNQ-UHFFFAOYSA-N C1(=NN(C(=O)C1=O)c1ccccc1)C C10H8N2O2 rwb97xd/6-311G(d,p)irc=(maxpoints=58,calcfc,recalc=5,maxcycle=40,ti Organic Chemistry

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