C 6 O 6 Ti 1 -2

DSpace/Manakin Repository

C 6 O 6 Ti 1 -2

dc.contributor Celeste van den Bosch
dc.creator Celeste van den Bosch
dc.date.accessioned 2011-10-28T12:59:43Z
dc.date.available 2011-10-28T12:59:43Z
dc.date.issued 2011-10-28T12:59:43Z
dc.identifier No identifier
dc.identifier InChI=1/6CH3O.Ti/c6*1-2;/h6*2H,1H2;
dc.identifier InChIKey=SHMWCAOOMFPJPI-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-9674
dc.identifier.uri http://dx.doi.org/10.14469/ch/9648
dc.description.uri No project
dc.description.uri No description
dc.format.extent 1146 bytes
dc.format.extent 1313015 bytes
dc.format.extent 931770 bytes
dc.format.extent 1620 bytes
dc.format.extent 73 bytes
dc.format.extent 27 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 4746 bytes
dc.format.extent 11089 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 Celeste van den Bosch
dc.subject.ddc InChI=1/6CH3O.Ti/c6*1-2;/h6*2H,1H2;
dc.subject.ddc InChIKey=SHMWCAOOMFPJPI-UHFFFAOYSA-N
dc.subject.ddc [Ti](CO)(CO)(CO)(CO)(CO)CO
dc.subject.ddc CX1-14-33-2
dc.subject.ddc Freq
dc.subject.ddc RB3LYP
dc.subject.ddc Gen
dc.subject.ddc full
dc.subject.ddc nbo
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A1G
dc.subject.ddc -738.0860344
dc.subject.ddc 3.798e-09
dc.subject.ddc 2.041e-05
dc.subject.ddc 155.141098,0.,155.141098,0.,0.,155.141098
dc.subject.ddc O(Ti1),3C4(O1C1.C1O1)
dc.title C 6 O 6 Ti 1 -2
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.119Kb chemical/x-gaussian-input View/Open
logfile.out 1.252Mb chemical/x-gaussian-log View/Open
checkpoint.fchk 909.9Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.582Kb chemical/x-cml View/Open
inchi.txt 73bytes chemical/x-inchi View/Open
smiles.txt 27bytes 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 4.634Kb chemical/x-cml View/Open

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