C 2 H 16 P 4 Ru 1

DSpace/Manakin Repository

C 2 H 16 P 4 Ru 1

dc.contributor Simon Nizard
dc.creator Simon Nizard
dc.date.accessioned 2011-12-06T14:27:58Z
dc.date.available 2011-12-06T14:27:58Z
dc.date.issued 2011-12-06T14:27:58Z
dc.identifier No identifier
dc.identifier InChI=1/C2H5.4H3P.Ru/c1-2;;;;;/h1H2,2H3;4*1H3;
dc.identifier InChIKey=CCILRENGZGLOMB-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-10904
dc.identifier.uri http://dx.doi.org/10.14469/ch/10878
dc.description.uri No project
dc.description.uri No description
dc.format.extent 1805 bytes
dc.format.extent 1234883 bytes
dc.format.extent 895118 bytes
dc.format.extent 2668 bytes
dc.format.extent 84 bytes
dc.format.extent 15 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 5330 bytes
dc.format.extent 10618 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 Simon Nizard
dc.subject.ddc InChI=1/C2H5.4H3P.Ru/c1-2;;;;;/h1H2,2H3;4*1H3;
dc.subject.ddc InChIKey=CCILRENGZGLOMB-UHFFFAOYSA-N
dc.subject.ddc [Ru]CC.P.P.P.P
dc.subject.ddc CX1-7-36-1
dc.subject.ddc SP
dc.subject.ddc RB3LYP
dc.subject.ddc Gen
dc.subject.ddc nbo
dc.subject.ddc full
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -205.7268488
dc.subject.ddc 5.786e-10
dc.subject.ddc X(C2H16P4Ru1)
dc.title C 2 H 16 P 4 Ru 1
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.762Kb chemical/x-gaussian-input View/Open
logfile.out 1.177Mb chemical/x-gaussian-log View/Open
checkpoint.fchk 874.1Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.605Kb chemical/x-cml View/Open
inchi.txt 84bytes chemical/x-inchi View/Open
smiles.txt 15bytes 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 5.205Kb chemical/x-cml View/Open

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