C 6 H 3 Mn 1 O 5

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C 6 H 3 Mn 1 O 5

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-11-04T09:38:53Z
dc.date.available 2012-11-04T09:38:53Z
dc.date.issued 2012-11-04
dc.identifier InChI=1S/C2H3O.4CO.Mn/c1-2-3;4*1-2;/h1H3;;;;;
dc.identifier InChIKey=KKKRYOJABRBESL-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/21553
dc.identifier.uri http://dx.doi.org/10.14469/ch/15514
dc.description 2nd_year
dc.description mn pentacarbonyl, migration prestep freq
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 6 H 3 Mn 1 O 5
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.103Kb chemical/x-gaussian-input View/Open
logfile.log 85.96Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 664.9Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.121Kb chemical/x-cml View/Open
inchi.txt 83bytes chemical/x-inchi View/Open
smiles.txt 43bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 8bytes Text file View/Open
description.txt 40bytes Text file View/Open
archive-cml-1.xml 6.011Kb chemical/x-cml View/Open

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