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Gaussian Job Archive for C6H13F5O5S

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posted on 2015-11-16, 10:16 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/C4H9F5O3S.C2H4O2/c5-13(6,7,8,9)4(1-10)2-12-3-11;1-2(3)4/h4,10-11H,1-3H2;1H3,(H,3,4)/t4-;/m1./s1 InChIKey=KWDBKFXXBBORRW-PGMHMLKASA-N C([C@@H](CO)S(F)(F)(F)(F)F)OCO.OC(=O)C C6H13F5O5S IRC=(maxpoints=200,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,s Organic Chemistry

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