C 6 H 6

DSpace/Manakin Repository

C 6 H 6

dc.contributor Henry S Rzepa
dc.date.accessioned 2009-07-22T07:05:24Z
dc.date.available 2009-07-22T07:05:24Z
dc.date.issued 2009-07-22T07:05:24Z
dc.identifier No identifier
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/to-2337
dc.identifier.uri http://dx.doi.org/10.14469/ch/2312
dc.description.uri No project
dc.description.uri No description
dc.format.extent 843 bytes
dc.format.extent 208184 bytes
dc.format.extent 4209150 bytes
dc.format.extent 1545 bytes
dc.format.extent 71 bytes
dc.format.extent 9 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 4310 bytes
dc.format.extent 10564 bytes
dc.format.mimetype chemical/x-gaussian-input
dc.format.mimetype chemical/x-gaussian-log
dc.format.mimetype chemical/x-gaussian-checkpoint
dc.format.mimetype chemical/x-cml
dc.format.mimetype chemical/x-inchi
dc.format.mimetype chemical/x-smiles
dc.format.mimetype application/octet-stream
dc.format.mimetype text/plain
dc.format.mimetype text/plain
dc.format.mimetype chemical/x-cml
dc.format.mimetype application/xml
dc.language.iso en_US
dc.publisher Imperial College London
dc.rights.uri Henry S Rzepa
dc.subject.ddc InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H
dc.subject.ddc InChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N
dc.subject.ddc c1ccccc1
dc.subject.ddc CX1-7-36-1
dc.subject.ddc Freq
dc.subject.ddc ROB3LYP
dc.subject.ddc Aug-CC-pVTZ
dc.subject.ddc EM64L-G03RevE.01
dc.subject.ddc 5-A1G
dc.subject.ddc -232.0382185
dc.subject.ddc 8.795e-09
dc.subject.ddc 4.431e-05
dc.subject.ddc 3C2'(H1C1.C1H1)
dc.title C 6 H 6
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 843bytes chemical/x-gaussian-input View/Open
logfile.out 203.3Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 4.014Mb 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 chemical/x-wavefunction View/Open
project.txt 11bytes Text file View/Open
description.txt 15bytes Text file View/Open
archive-cml-1.xml 4.208Kb chemical/x-cml View/Open

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