C 3 F 6 S 3

DSpace/Manakin Repository

C 3 F 6 S 3

dc.contributor Henry S Rzepa
dc.date.accessioned 2010-01-01T09:25:37Z
dc.date.available 2010-01-01T09:25:37Z
dc.date.issued 2010-01-01T09:25:37Z
dc.identifier InChI=1/C3H6F6S3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h1-3H2
dc.identifier InChIKey=WXNKOUXDAQSECU-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-3646
dc.identifier.uri http://dx.doi.org/10.14469/ch/3621
dc.description.uri blog
dc.description.uri S3C3F6
dc.format.extent 862 bytes
dc.format.extent 185082 bytes
dc.format.extent 3424273 bytes
dc.format.extent 1549 bytes
dc.format.extent 92 bytes
dc.format.extent 25 bytes
dc.format.extent 752865 bytes
dc.format.extent 4 bytes
dc.format.extent 6 bytes
dc.format.extent 3597 bytes
dc.format.extent 5061 bytes
dc.format.extent 13380 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 chemical/x-cml
dc.format.mimetype application/xml
dc.language.iso en_US
dc.publisher Imperial College London
dc.rights.uri Henry S Rzepa
dc.subject.ddc InChI=1/C3H6F6S3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h1-3H2
dc.subject.ddc InChIKey=WXNKOUXDAQSECU-UHFFFAOYSA-N
dc.subject.ddc C1S(F)(CS(F)(CS1(F)F)F)F
dc.subject.ddc CX1-15-34-2
dc.subject.ddc FOpt
dc.subject.ddc RB3LYP
dc.subject.ddc CC-pVTZ
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-A1'
dc.subject.ddc -1907.8403877
dc.subject.ddc 3.182e-09
dc.subject.ddc 1.528e-04
dc.subject.ddc 3C2(C1.S1),3SGV(F2)
dc.subject.ddc CX1-15-34-2
dc.subject.ddc Freq
dc.subject.ddc RB3LYP
dc.subject.ddc CC-pVTZ
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-A1'
dc.subject.ddc -1907.8403877
dc.subject.ddc 9.621e-10
dc.subject.ddc 1.528e-04
dc.subject.ddc 110.2174178,-0.003293,110.2136153,0.,0.,61.7432585
dc.subject.ddc 3C2(C1.S1),3SGV(F2)
dc.title C 3 F 6 S 3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 862bytes chemical/x-gaussian-input View/Open
logfile.out 180.7Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 3.265Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.512Kb chemical/x-cml View/Open
inchi.txt 92bytes chemical/x-inchi View/Open
smiles.txt 25bytes chemical/x-smiles View/Open
wavefunction.wfn 735.2Kb chemical/x-wavefunction View/Open
project.txt 4bytes Text file View/Open
description.txt 6bytes Text file View/Open
archive-cml-1.xml 3.512Kb chemical/x-cml View/Open
archive-cml-2.xml 4.942Kb chemical/x-cml View/Open

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