C 2 H 6

DSpace/Manakin Repository

C 2 H 6

dc.contributor Matt J Harvey
dc.creator Matt J Harvey
dc.date.accessioned 2012-08-08T15:07:35Z
dc.date.available 2012-08-08T15:07:35Z
dc.date.issued 2012-08-08
dc.identifier InChI=1S/C2H6/c1-2/h1-2H3
dc.identifier InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/20293
dc.description # RHF/STO-3G Pop=(Minimal) opt freq
dc.publisher Imperial College London
dc.rights Matt J Harvey
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.log 110.1Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 6.208Kb 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
description.txt 102bytes Text file View/Open
archive-cml-1.xml 2.958Kb chemical/x-cml View/Open
archive-cml-2.xml 5.388Kb chemical/x-cml View/Open

This item appears in the following Collection(s)

Search DSpace


Advanced Search

Browse

My Account