Gaussian Job Archive for C3H6I2Zn

dataset

posted on 2014-12-13, 17:24 authored by Henry S. RzepaHenry S. Rzepa

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

History

Related Materials

1.
URL - References http://www.imperial.ac.uk/ict/services/teachingandresearchservices/highperformancecomputing
2.
URL - References http://www.chemspider.com/Search.aspx?q=InChIKey=VLSKZBWWEMFOHI-UHFFFAOYSA-L
3.
URL - References http://www.ncbi.nlm.nih.gov/pccompound?term=InChIKey=VLSKZBWWEMFOHI-UHFFFAOYSA-L
4.
URL - References http://www.ch.ic.ac.uk/rzepa/data-descriptors/

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Categories

Organic chemistry not elsewhere classified

Keywords

InChI=1S/C2H4.CH2.2HI.Zn/c1-2;;;;/h1-2H2;1H2;2*1H;/q;;;;+2/p-2 wB97XD/Gen pseudo=read opt(calcfc,ts,noeigentest,cartesian)Freq RwB97XD/ChkBas GenChk SCRF=Check Guess=TCheck Geom=AllCheck #N C3H6I2Zn C=C.[CH2][Zn](I)I InChIKey=VLSKZBWWEMFOHI-UHFFFAOYSA-L scr Organic Chemistry

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