C 11 H 15 Cl 1

DSpace/Manakin Repository

C 11 H 15 Cl 1

dc.contributor Thomas Campling
dc.creator Thomas Campling
dc.date.accessioned 2011-03-02T14:36:16Z
dc.date.available 2011-03-02T14:36:16Z
dc.date.issued 2011-03-02T14:36:16Z
dc.identifier No identifier
dc.identifier InChI=1/C11H15Cl/c12-9-10-5-1-2-6-11(9,10)8-4-3-7-10/h1-2,9H,3-8H2/t9-,10-,11+
dc.identifier InChIKey=CUBDXAXXQJSMPI-RTCCRHLQSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-7361
dc.identifier.uri http://dx.doi.org/10.14469/ch/7336
dc.description.uri No project
dc.description.uri No description
dc.format.extent 1526 bytes
dc.format.extent 621094 bytes
dc.format.extent 1742396 bytes
dc.format.extent 3403 bytes
dc.format.extent 116 bytes
dc.format.extent 28 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 6111 bytes
dc.format.extent 9149 bytes
dc.format.extent 13428 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 Thomas Campling
dc.subject.ddc InChI=1/C11H15Cl/c12-9-10-5-1-2-6-11(9,10)8-4-3-7-10/h1-2,9H,3-8H2/t9-,10-,11+
dc.subject.ddc InChIKey=CUBDXAXXQJSMPI-RTCCRHLQSA-N
dc.subject.ddc C1CCC[C@@]23CC=CC[C@]13C2Cl
dc.subject.ddc CX1-13-36-2
dc.subject.ddc FOpt
dc.subject.ddc RB3LYP
dc.subject.ddc 6-31G(d,p)
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -888.3820858
dc.subject.ddc 7.900e-09
dc.subject.ddc 1.552e-05
dc.subject.ddc X(C11H15Cl1)
dc.subject.ddc CX1-13-36-2
dc.subject.ddc Freq
dc.subject.ddc RB3LYP
dc.subject.ddc 6-31G(d,p)
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A
dc.subject.ddc -888.3820858
dc.subject.ddc 4.376e-09
dc.subject.ddc 1.552e-05
dc.subject.ddc 114.6023959,0.3836442,118.4000584,11.0803834,-6.3454653,112.1217993
dc.subject.ddc X(C11H15Cl1)
dc.title C 11 H 15 Cl 1
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.490Kb chemical/x-gaussian-input View/Open
logfile.out 606.5Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 1.661Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.323Kb chemical/x-cml View/Open
inchi.txt 116bytes chemical/x-inchi View/Open
smiles.txt 28bytes 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 5.967Kb chemical/x-cml View/Open
archive-cml-2.xml 8.934Kb chemical/x-cml View/Open

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