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Gaussian Job Archive for C9H25NO3

dataset

posted on 2013-05-09, 05:45 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/C4H12N.C3H6O.CH4O.CH3O/c1-5(2,3)4;1-3-2-4-3;2*1-2/h1-4H3;3H,2H2,1H3;2H,1H3;1H3/t;3-;;/m.0../s1 InChIKey=IVGOABJNCDMFQE-ZRVYWVIDSA-N C[O].[C@@H]1(CO1)C.OC.C[N](C)(C)C C9H25NO3 irc(calcfc,recalc=4,maxpoints=200,maxcycle=40,tight,stepsize=10,cart Organic Chemistry

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