C 22 H 14

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C 22 H 14

dc.contributor Henry S Rzepa
dc.date.accessioned 2008-08-10T08:02:24Z
dc.date.available 2008-08-10T08:02:24Z
dc.date.issued 2008-08-10T08:02:24Z
dc.identifier InChI=1/C22H14/c1-3-7-19-15(5-1)9-11-17-13-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-14H
dc.identifier.uri http://hdl.handle.net/10042/to-888
dc.identifier.uri http://dx.doi.org/10.14469/ch/863
dc.description.uri 3rd year
dc.description.uri pentahelicene OR
dc.format.extent 2233 bytes
dc.format.extent 73553 bytes
dc.format.extent 7864066 bytes
dc.format.extent 4553 bytes
dc.format.extent 94 bytes
dc.format.extent 35 bytes
dc.format.extent 8 bytes
dc.format.extent 16 bytes
dc.format.extent 7596 bytes
dc.format.extent 9984 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 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/C22H14/c1-3-7-19-15(5-1)9-11-17-13-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-14H
dc.subject.ddc c1ccc2c(c1)c1c3c4ccccc4ccc3ccc1cc2
dc.subject.ddc CH-135-41
dc.subject.ddc SP
dc.subject.ddc RB3LYP
dc.subject.ddc 6-31G(d,p)
dc.subject.ddc optrot
dc.subject.ddc EM64L-G03RevE.01
dc.subject.ddc 1-A
dc.subject.ddc -846.829102
dc.subject.ddc 7.442e-09
dc.subject.ddc 101.4492044,27.042967,326.3212003,0.,0.,297.8618522
dc.subject.ddc X(C22H14)
dc.title C 22 H 14
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 2.180Kb chemical/x-gaussian-input View/Open
logfile.out 71.82Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 7.499Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 4.446Kb chemical/x-cml View/Open
inchi.txt 94bytes chemical/x-inchi View/Open
smiles.txt 35bytes chemical/x-smiles View/Open
project.txt 8bytes Text file View/Open
description.txt 16bytes Text file View/Open
archive-cml-1.xml 7.417Kb chemical/x-cml View/Open

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