C 6 H 10 O 1

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C 6 H 10 O 1

dc.contributor Henry S Rzepa
dc.date.accessioned 2015-06-10T07:08:22Z
dc.date.available 2015-06-10T07:08:22Z
dc.date.issued 2015-06-10
dc.identifier http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
dc.identifier http://orcid.org/0000-0002-8635-8390
dc.identifier InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
dc.identifier InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/195570
dc.identifier.uri http://dx.doi.org/10.14469/ch/191324
dc.description # opt freq rwb97xd/def2tzvpp scrf=(cpcm,solvent=dichloromethane) integ
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 6 H 10 O 1
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.354Kb chemical/x-gaussian-input View/Open
logfile.log 257.2Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 942.4Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.247Kb chemical/x-cml View/Open
inchi.txt 77bytes chemical/x-inchi View/Open
smiles.txt 13bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes Unknown View/Open
description.txt 144bytes Text file View/Open
archive-cml-1.xml 4.619Kb chemical/x-cml View/Open
archive-cml-2.xml 6.248Kb chemical/x-cml View/Open

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