C 2 H 6

DSpace/Manakin Repository

C 2 H 6

dc.contributor Henry S Rzepa
dc.creator Henry S Rzepa
dc.date.accessioned 2011-04-07T12:57:48Z
dc.date.available 2011-04-07T12:57:48Z
dc.date.issued 2011-04-07T12:57:48Z
dc.identifier InChI=1/C2H6/c1-2/h1-2H3
dc.identifier InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-8239
dc.description.uri 2nd_year
dc.description.uri ethane eclipsed d3h steric
dc.format.extent 648 bytes
dc.format.extent 234353 bytes
dc.format.extent 154412 bytes
dc.format.extent 1045 bytes
dc.format.extent 62 bytes
dc.format.extent 3 bytes
dc.format.extent 0 bytes
dc.format.extent 8 bytes
dc.format.extent 26 bytes
dc.format.extent 3037 bytes
dc.format.extent 4157 bytes
dc.format.extent 13500 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 Henry S Rzepa
dc.subject.ddc InChI=1/C2H6/c1-2/h1-2H3
dc.subject.ddc InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.subject.ddc CC
dc.subject.ddc CX1-15-35-1
dc.subject.ddc FOpt
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc nboread
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A1'
dc.subject.ddc -79.8204832
dc.subject.ddc 2.305e-09
dc.subject.ddc 4.734e-05
dc.subject.ddc C3(C1.C1),3SGV(H2)
dc.subject.ddc CX1-15-35-1
dc.subject.ddc Freq
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A1'
dc.subject.ddc -79.8204832
dc.subject.ddc 1.678e-10
dc.subject.ddc 4.733e-05
dc.subject.ddc 23.9869401,-0.0042977,23.9919027,0.,0.,26.3100576
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 648bytes chemical/x-gaussian-input View/Open
logfile.out 228.8Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 150.7Kb 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 8bytes Text file View/Open
description.txt 26bytes Text file View/Open
archive-cml-1.xml 2.965Kb chemical/x-cml View/Open
archive-cml-2.xml 4.059Kb chemical/x-cml View/Open

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