C 2 H 6

DSpace/Manakin Repository

C 2 H 6

dc.contributor MATT J Harvey
dc.creator MATT J Harvey
dc.date.accessioned 2010-08-16T10:03:25Z
dc.date.available 2010-08-16T10:03:25Z
dc.date.issued 2010-08-16T10:03:25Z
dc.identifier InChI=1/C2H6/c1-2/h1-2H3
dc.identifier InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-5104
dc.description.uri Chem Lab Test
dc.description.uri ethane test
dc.format.extent 480 bytes
dc.format.extent 105190 bytes
dc.format.extent 32420 bytes
dc.format.extent 1044 bytes
dc.format.extent 62 bytes
dc.format.extent 3 bytes
dc.format.extent 0 bytes
dc.format.extent 13 bytes
dc.format.extent 11 bytes
dc.format.extent 3111 bytes
dc.format.extent 5531 bytes
dc.format.extent 13439 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 chemical/x-cml
dc.format.mimetype application/xml
dc.language.iso en_US
dc.publisher Imperial College London
dc.rights.uri MATT J Harvey
dc.subject.ddc InChI=1/C2H6/c1-2/h1-2H3
dc.subject.ddc InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.subject.ddc CC
dc.subject.ddc CX1-29-10-1
dc.subject.ddc FOpt
dc.subject.ddc RHF
dc.subject.ddc STO-3G
dc.subject.ddc Minimal
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-AG
dc.subject.ddc -78.3061793
dc.subject.ddc 2.800e-10
dc.subject.ddc 7.247e-05
dc.subject.ddc SGH(C2H2),X(H4)
dc.subject.ddc CX1-29-10-1
dc.subject.ddc Freq
dc.subject.ddc RHF
dc.subject.ddc STO-3G
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-AG
dc.subject.ddc -78.3061793
dc.subject.ddc 3.701e-11
dc.subject.ddc 7.247e-05
dc.subject.ddc 11.1233897,0.0765954,10.8053249,0.,0.,10.7878545
dc.subject.ddc SGH(C2H2),X(H4)
dc.title C 2 H 6
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 480bytes chemical/x-gaussian-input View/Open
logfile.out 102.7Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 31.66Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.019Kb 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 13bytes Text file View/Open
description.txt 11bytes Text file View/Open
archive-cml-1.xml 3.038Kb chemical/x-cml View/Open
archive-cml-2.xml 5.401Kb chemical/x-cml View/Open

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