C 1 N 1 1

DSpace/Manakin Repository

C 1 N 1 1

dc.contributor Henry S Rzepa
dc.date.accessioned 2010-12-16T16:20:49Z
dc.date.available 2010-12-16T16:20:49Z
dc.date.issued 2010-12-16T16:20:49Z
dc.identifier InChI=1/CHN/c1-2/h1H
dc.identifier InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-6261
dc.identifier.uri http://dx.doi.org/10.14469/ch/6236
dc.description.uri 1st Year
dc.description.uri CN+
dc.format.extent 278 bytes
dc.format.extent 323064 bytes
dc.format.extent 292105 bytes
dc.format.extent 352 bytes
dc.format.extent 58 bytes
dc.format.extent 4 bytes
dc.format.extent 225391 bytes
dc.format.extent 8 bytes
dc.format.extent 3 bytes
dc.format.extent 2645 bytes
dc.format.extent 10439 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/CHN/c1-2/h1H
dc.subject.ddc InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N
dc.subject.ddc N#C
dc.subject.ddc CX1-27-5-4
dc.subject.ddc FOpt
dc.subject.ddc RCCSD-FC
dc.subject.ddc Aug-CC-pVTZ
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-SG
dc.subject.ddc -91.6407016
dc.subject.ddc 4.388e-09
dc.subject.ddc 3.950e-07
dc.subject.ddc C*(C1N1)
dc.title C 1 N 1 1
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 278bytes chemical/x-gaussian-input View/Open
logfile.out 315.4Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 285.2Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 352bytes chemical/x-cml View/Open
inchi.txt 58bytes chemical/x-inchi View/Open
smiles.txt 4bytes chemical/x-smiles View/Open
wavefunction.wfn 220.1Kb chemical/x-wavefunction View/Open
project.txt 8bytes Text file View/Open
description.txt 3bytes Text file View/Open
archive-cml-1.xml 2.583Kb chemical/x-cml View/Open

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