C 2 H 6

DSpace/Manakin Repository

C 2 H 6

dc.contributor Jonathan Pritchard
dc.creator Jonathan Pritchard
dc.date.accessioned 2009-12-05T13:01:46Z
dc.date.available 2009-12-05T13:01:46Z
dc.date.issued 2009-12-05T13:01:46Z
dc.identifier No identifier
dc.identifier InChI=1/C2H6/c1-2/h1-2H3
dc.identifier InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-3136
dc.description.uri No project
dc.description.uri No description
dc.format.extent 693 bytes
dc.format.extent 53615 bytes
dc.format.extent 45682 bytes
dc.format.extent 1045 bytes
dc.format.extent 62 bytes
dc.format.extent 3 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 2970 bytes
dc.format.extent 10438 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 Jonathan Pritchard
dc.subject.ddc InChI=1/C2H6/c1-2/h1-2H3
dc.subject.ddc InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.subject.ddc CC
dc.subject.ddc CX1-7-36-2
dc.subject.ddc FOpt
dc.subject.ddc RB3LYP
dc.subject.ddc LANL2DZ
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-A1'
dc.subject.ddc -79.8149342
dc.subject.ddc 2.085e-09
dc.subject.ddc 6.106e-05
dc.subject.ddc C3(C1.C1),3SGV(H2)
dc.title C 2 H 6
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 693bytes chemical/x-gaussian-input View/Open
logfile.out 52.35Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 44.61Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.020Kb chemical/x-cml View/Open
inchi.txt 62bytes chemical/x-inchi View/Open
smiles.txt 3bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes Unknown View/Open
project.txt 11bytes Text file View/Open
description.txt 15bytes Text file View/Open
archive-cml-1.xml 2.900Kb chemical/x-cml View/Open

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