C3H10O3

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C3H10O3

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-11-11T09:08:31Z
dc.date.available 2012-11-11T09:08:31Z
dc.date.issued 2012-11-11
dc.identifier InChI=1S/C3H6O.2H2O/c1-3(2)4;;/h1-2H3;2*1H2
dc.identifier InChIKey=PJYUPDCACOMARB-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/21567
dc.identifier.uri http://dx.doi.org/10.14469/ch/15528
dc.description blog
dc.description acetone enol IRC
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C3H10O3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.158Kb chemical/x-gaussian-input View/Open
logfile.log 3.540Mb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 331.0Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.998Kb chemical/x-cml View/Open
inchi.txt 81bytes chemical/x-inchi View/Open
smiles.txt 12bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 4bytes Text file View/Open
description.txt 16bytes Text file View/Open

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