C 28 H 24 O 4

DSpace/Manakin Repository

C 28 H 24 O 4

dc.contributor Henry S Rzepa
dc.date.accessioned 2011-01-07T09:24:21Z
dc.date.available 2011-01-07T09:24:21Z
dc.date.issued 2011-01-07T09:24:21Z
dc.identifier InChI=1/C28H24.4H2O/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21;;;;/h1-16H,17-20H2;4*1H2
dc.identifier InChIKey=BKEUGVHOSOGGFS-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-6368
dc.identifier.uri http://dx.doi.org/10.14469/ch/6343
dc.description.uri blog
dc.description.uri calixarene c4 dcm saddle=3
dc.format.extent 3394 bytes
dc.format.extent 907612 bytes
dc.format.extent 12953177 bytes
dc.format.extent 6760 bytes
dc.format.extent 172 bytes
dc.format.extent 55 bytes
dc.format.extent 0 bytes
dc.format.extent 4 bytes
dc.format.extent 26 bytes
dc.format.extent 16158 bytes
dc.format.extent 11243 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=1/C28H24.4H2O/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21;;;;/h1-16H,17-20H2;4*1H2
dc.subject.ddc InChIKey=BKEUGVHOSOGGFS-UHFFFAOYSA-N
dc.subject.ddc c1cc2Cc3cc(Cc4cc(Cc5cc(Cc(c2)c1)ccc5)ccc4)ccc3.O.O.O.O
dc.subject.ddc CX1-15-38-1
dc.subject.ddc Freq
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc Check
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A1
dc.subject.ddc -1382.2574562
dc.subject.ddc 1.924e-09
dc.subject.ddc 7.994e-07
dc.subject.ddc 442.1954154,-0.0000023,442.1954168,-0.0000013,0.0000006,324.3034793
dc.subject.ddc 2SGV(C4H2O2),2SGD(C2H6),X(C16H8)
dc.title C 28 H 24 O 4
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 3.314Kb chemical/x-gaussian-input View/Open
logfile.out 886.3Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 12.35Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 6.601Kb chemical/x-cml View/Open
inchi.txt 172bytes chemical/x-inchi View/Open
smiles.txt 55bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 4bytes Text file View/Open
description.txt 26bytes Text file View/Open
archive-cml-1.xml 15.77Kb chemical/x-cml View/Open

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