C7H7NO2S2

DSpace/Manakin Repository

C7H7NO2S2

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-11-16T09:42:22Z
dc.date.available 2012-11-16T09:42:22Z
dc.date.issued 2012-11-16
dc.identifier InChI=1S/C6H7NOS2.CO/c1-5(8)7-4-6-9-2-3-10-6;1-2/h2-3H2,1H3;
dc.identifier InChIKey=RCUUUHCBXRMXSL-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/21634
dc.identifier.uri http://dx.doi.org/10.14469/ch/15595
dc.description Wentrup
dc.description 6 SS TS IRC
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C7H7NO2S2
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.324Kb chemical/x-gaussian-input View/Open
logfile.log 1.430Mb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 812.5Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.539Kb chemical/x-cml View/Open
inchi.txt 98bytes chemical/x-inchi View/Open
smiles.txt 30bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 7bytes Text file View/Open
description.txt 11bytes Text file View/Open

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