Gaussian Job Archive for C6H15NO5

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Gaussian Job Archive for C6H15NO5

2015-11-11T17:24:59Z (GMT) by Henry S. Rzepa

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

Categories

Organic Chemistry

Keyword(s)

InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6)2-8-3-7;1-2(3)4/h4,6-7H,1-3,5H2;1H3,(H,3,4)/t4-;/m1./s1 InChIKey=NCKZLMTXBBSTAM-PGMHMLKASA-N C([C@@H](CO)N)OCO.OC(=O)C C6H15NO5 IRC=(maxpoints=200,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,s

License

CC BY 4.0

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