C 6 H 6

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C 6 H 6

dc.contributor Henry S Rzepa
dc.creator Henry S Rzepa
dc.date.accessioned 2015-07-28T10:45:04Z
dc.date.available 2015-07-28T10:45:04Z
dc.date.issued 2015-07-28
dc.identifier http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
dc.identifier http://orcid.org/0000-0002-8635-8390
dc.identifier InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H
dc.identifier InChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/195648
dc.identifier.uri http://dx.doi.org/10.14469/ch/191398
dc.description shaik
dc.description benzene heptet
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 6 H 6
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.107Kb chemical/x-gaussian-input View/Open
logfile.log 211.0Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 5.618Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.508Kb chemical/x-cml View/Open
inchi.txt 71bytes chemical/x-inchi View/Open
smiles.txt 9bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes Unknown View/Open
project.txt 5bytes Text file View/Open
description.txt 14bytes Text file View/Open
archive-cml-1.xml 6.513Kb chemical/x-cml View/Open

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