C 9 H 9 Cl 1 O 3

DSpace/Manakin Repository

C 9 H 9 Cl 1 O 3

dc.contributor Henry S Rzepa
dc.date.accessioned 2013-08-27T06:25:42Z
dc.date.available 2013-08-27T06:25:42Z
dc.date.issued 2013-08-27
dc.identifier InChI=1S/C7H5ClO3.C2H4/c8-6-3-1-2-5(4-6)7(9)11-10;1-2/h1-4,10H;1-2H2
dc.identifier InChIKey=QXSYMOGMJIMBCF-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/25042
dc.identifier.uri http://dx.doi.org/10.14469/ch/19003
dc.description # opt(calcall,cartesian) rwb97xd/6-311g(d,p) scrf=(solvent=dichloromet
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 9 H 9 Cl 1 O 3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.472Kb chemical/x-gaussian-input View/Open
logfile.log 260.5Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 860.1Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 2.829Kb chemical/x-cml View/Open
inchi.txt 106bytes chemical/x-inchi View/Open
smiles.txt 26bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
description.txt 72bytes Text file View/Open
archive-cml-1.xml 7.505Kb chemical/x-cml View/Open

This item appears in the following Collection(s)

Search DSpace


Advanced Search

Browse

My Account