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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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