C 4 Cl 6 Mo 1 O 4 P 2

DSpace/Manakin Repository

C 4 Cl 6 Mo 1 O 4 P 2

dc.contributor Simon Nizard
dc.creator Simon Nizard
dc.date.accessioned 2011-12-02T09:46:33Z
dc.date.available 2011-12-02T09:46:33Z
dc.date.issued 2011-12-02T09:46:33Z
dc.identifier No identifier
dc.identifier InChI=1/4CH3O.2Cl3P.Mo/c4*1-2;2*1-4(2)3;/h4*2H,1H2;;;/q;;;;;;-2/p+2
dc.identifier InChIKey=RJPCWSAIYINKQF-UHFFFAOYSA-P
dc.identifier.uri http://hdl.handle.net/10042/to-10622
dc.identifier.uri http://dx.doi.org/10.14469/ch/10596
dc.description.uri No project
dc.description.uri No description
dc.format.extent 1336 bytes
dc.format.extent 96382 bytes
dc.format.extent 676609 bytes
dc.format.extent 2113 bytes
dc.format.extent 105 bytes
dc.format.extent 45 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 6280 bytes
dc.format.extent 10848 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=1/4CH3O.2Cl3P.Mo/c4*1-2;2*1-4(2)3;/h4*2H,1H2;;;/q;;;;;;-2/p+2
dc.subject.ddc InChIKey=RJPCWSAIYINKQF-UHFFFAOYSA-P
dc.subject.ddc [Mo](CO)(CO)(P(Cl)(Cl)Cl)(P(Cl)(Cl)Cl)(CO)CO
dc.subject.ddc CX1-7-36-1
dc.subject.ddc Freq
dc.subject.ddc RB3LYP
dc.subject.ddc LANL2DZ
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -623.5770719
dc.subject.ddc 5.662e-10
dc.subject.ddc 5.887e-06
dc.subject.ddc 250.2588903,0.0018019,231.722252,0.8413786,0.0055872,212.6365252
dc.subject.ddc X(C4Cl6Mo1O4P2)
dc.title C 4 Cl 6 Mo 1 O 4 P 2
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.304Kb chemical/x-gaussian-input View/Open
logfile.out 94.12Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 660.7Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.063Kb chemical/x-cml View/Open
inchi.txt 105bytes chemical/x-inchi View/Open
smiles.txt 45bytes 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 6.132Kb chemical/x-cml View/Open

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