H 22 O 11

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H 22 O 11

dc.contributor Henry S Rzepa
dc.date.accessioned 2016-04-14T06:29:31Z
dc.date.available 2016-04-14T06:29:31Z
dc.date.issued 2016-04-14
dc.identifier http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
dc.identifier http://orcid.org/0000-0002-8635-8390
dc.identifier InChI=1S/11H2O/h11*1H2
dc.identifier InChIKey=QFKPKUIFHZLBPM-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/196245
dc.identifier.uri http://dx.doi.org/10.14469/ch/191995
dc.description # freq wb97xd/6-311++g(d,p) scrf=(cpcm,solvent=water) geom=connectivit
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title H 22 O 11
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 2.384Kb chemical/x-gaussian-input View/Open
logfile.log 238.3Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 1.469Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.769Kb chemical/x-cml View/Open
inchi.txt 60bytes chemical/x-inchi View/Open
smiles.txt 22bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes Unknown View/Open
description.txt 72bytes Text file View/Open
archive-cml-1.xml 9.340Kb chemical/x-cml View/Open

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