C 6 H 10 Cl 3 -1

DSpace/Manakin Repository

C 6 H 10 Cl 3 -1

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-02-19T16:23:26Z
dc.date.available 2012-02-19T16:23:26Z
dc.date.issued 2012-02-19T16:23:26Z
dc.identifier InChI=1S/C6H10Cl.2Cl/c7-6-4-2-1-3-5-6;;/h4,6H,1-3,5H2;;/t6-;;/m1../s1
dc.identifier InChIKey=NNSHKVUBXITZEE-QYCVXMPOSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-12724
dc.identifier.uri http://dx.doi.org/10.14469/ch/12698
dc.description.uri 2nd_year
dc.description.uri Ring E2 TS
dc.format.extent 1336 bytes
dc.format.extent 110902 bytes
dc.format.extent 1546205 bytes
dc.format.extent 2522 bytes
dc.format.extent 107 bytes
dc.format.extent 31 bytes
dc.format.extent 0 bytes
dc.format.extent 8 bytes
dc.format.extent 10 bytes
dc.format.extent 6814 bytes
dc.format.extent 11046 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 Henry S Rzepa
dc.subject.ddc InChI=1S/C6H10Cl.2Cl/c7-6-4-2-1-3-5-6;;/h4,6H,1-3,5H2;;/t6-;;/m1../s1
dc.subject.ddc InChIKey=NNSHKVUBXITZEE-QYCVXMPOSA-N
dc.subject.ddc C1C[C@@H]([CH]CC1)Cl.[Cl].[Cl]
dc.subject.ddc CX1-15-37-2
dc.subject.ddc Freq
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc cpcm
dc.subject.ddc EM64L-G09RevC.01
dc.subject.ddc 1-A
dc.subject.ddc -1615.4421559
dc.subject.ddc 5.980e-09
dc.subject.ddc 7.638e-07
dc.subject.ddc 206.4338209,-1.3052979,138.7736371,-0.912046,-6.7009893,112.7113261
dc.subject.ddc X(C6H10Cl3)
dc.title C 6 H 10 Cl 3 -1
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 108.3Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 1.474Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.462Kb chemical/x-cml View/Open
inchi.txt 107bytes chemical/x-inchi View/Open
smiles.txt 31bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 8bytes Text file View/Open
description.txt 10bytes Text file View/Open
archive-cml-1.xml 6.654Kb chemical/x-cml View/Open

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