C11H16O2

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C11H16O2

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-10-05T12:15:14Z
dc.date.available 2012-10-05T12:15:14Z
dc.date.issued 2012-10-05
dc.identifier InChI=1S/C6H8.C5H8O2/c1-2-4-6-5-3-1;1-3-5(6)7-4-2/h1-4H,5-6H2;3H,1,4H2,2H3
dc.identifier InChIKey=USKLDSQPUBZPIG-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/20423
dc.identifier.uri http://dx.doi.org/10.14469/ch/14384
dc.description 3rd year
dc.description res TS IRC
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C11H16O2
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.842Kb chemical/x-gaussian-input View/Open
logfile.log 2.520Mb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 1.120Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.678Kb chemical/x-cml View/Open
inchi.txt 112bytes chemical/x-inchi View/Open
smiles.txt 23bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 8bytes Text file View/Open
description.txt 11bytes Text file View/Open

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