C4H3NO3

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C4H3NO3

dc.contributor Henry S Rzepa
dc.creator Henry S Rzepa
dc.date.accessioned 2012-11-22T11:10:36Z
dc.date.available 2012-11-22T11:10:36Z
dc.date.issued 2012-11-22
dc.identifier InChI=1S/C4H3NO3/c1-2-3(6)4(7)8-5-2/h1H3
dc.identifier InChIKey=DBGRQMHRTHKSDX-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/21967
dc.identifier.uri http://dx.doi.org/10.14469/ch/15928
dc.description Wentrup
dc.description 7 IRC
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C4H3NO3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 862bytes chemical/x-gaussian-input View/Open
logfile.log 2.353Mb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 311.5Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.507Kb chemical/x-cml View/Open
inchi.txt 78bytes chemical/x-inchi View/Open
smiles.txt 18bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 7bytes Text file View/Open
description.txt 5bytes Text file View/Open

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