C 2 H 6

DSpace/Manakin Repository

C 2 H 6

dc.contributor Matt J Harvey
dc.creator Matt J Harvey
dc.date.accessioned 2012-04-23T10:46:44Z
dc.date.available 2012-04-23T10:46:44Z
dc.date.issued 2012-04-23T10:46:44Z
dc.identifier InChI=1S/C2H6/c1-2/h1-2H3
dc.identifier InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-13925
dc.description.uri rgdfg
dc.format.extent 467 bytes
dc.format.extent 112606 bytes
dc.format.extent 32420 bytes
dc.format.extent 1123 bytes
dc.format.extent 63 bytes
dc.format.extent 3 bytes
dc.format.extent 0 bytes
dc.format.extent 5 bytes
dc.format.extent 3024 bytes
dc.format.extent 5447 bytes
dc.format.extent 12595 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 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=1S/C2H6/c1-2/h1-2H3
dc.subject.ddc InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.subject.ddc CC
dc.subject.ddc CX1-27-1-4
dc.subject.ddc FOpt
dc.subject.ddc RHF
dc.subject.ddc STO-3G
dc.subject.ddc Minimal
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-AG
dc.subject.ddc -78.3061796
dc.subject.ddc 5.836e-09
dc.subject.ddc 2.169e-06
dc.subject.ddc SGH(C2H2),X(H4)
dc.subject.ddc CX1-27-1-4
dc.subject.ddc Freq
dc.subject.ddc RHF
dc.subject.ddc STO-3G
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-AG
dc.subject.ddc -78.3061796
dc.subject.ddc 1.161e-10
dc.subject.ddc 2.169e-06
dc.subject.ddc 11.1114175,0.0738378,10.804881,0.,0.,10.7880178
dc.title C 2 H 6
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 467bytes chemical/x-gaussian-input View/Open
logfile.out 109.9Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 31.66Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.096Kb chemical/x-cml View/Open
inchi.txt 63bytes chemical/x-inchi View/Open
smiles.txt 3bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes Unknown View/Open
project.txt 5bytes Text file View/Open
archive-cml-1.xml 2.953Kb chemical/x-cml View/Open
archive-cml-2.xml 5.319Kb chemical/x-cml View/Open

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