C 2 H 6

DSpace/Manakin Repository

C 2 H 6

dc.contributor Pan Xue
dc.creator Pan Xue
dc.date.accessioned 2011-03-25T03:53:23Z
dc.date.available 2011-03-25T03:53:23Z
dc.date.issued 2011-03-25T03:53:23Z
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-8105
dc.identifier.uri http://dx.doi.org/10.14469/ch/8080
dc.description.uri No project
dc.description.uri No description
dc.format.extent 1273 bytes
dc.format.extent 285573 bytes
dc.format.extent 183294 bytes
dc.format.extent 1046 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 5427 bytes
dc.format.extent 11021 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 Pan Xue
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 Freq
dc.subject.ddc RB3LYP
dc.subject.ddc 6-311+G(d,p)
dc.subject.ddc nbo
dc.subject.ddc full
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -79.8565443
dc.subject.ddc 7.959e-10
dc.subject.ddc 5.080e-05
dc.subject.ddc 26.0738509,-1.0657884,27.0895464,0.4924562,-0.7806375,25.7618771
dc.subject.ddc X(C2H6)
dc.title C 2 H 6
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.243Kb chemical/x-gaussian-input View/Open
logfile.out 278.8Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 178.9Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.021Kb chemical/x-cml View/Open
inchi.txt 62bytes chemical/x-inchi View/Open
smiles.txt 3bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 11bytes Text file View/Open
description.txt 15bytes Text file View/Open
archive-cml-1.xml 5.299Kb chemical/x-cml View/Open

This item appears in the following Collection(s)

Search DSpace


Advanced Search

Browse

My Account