C 72 H 102 Si 5

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C 72 H 102 Si 5

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-05-17T06:04:16Z
dc.date.available 2012-05-17T06:04:16Z
dc.date.issued 2012-05-17T06:04:16Z
dc.identifier InChI=1/C72H104Si5/c1-43(2)55-31-25-32-56(44(3)4)67(55)73(68-57(45(5)6)33-26-34-58(68)46(7)8)74(69-59(47(9)10)35-27-36-60(69)48(11)12)76-75(70-61(49(13)14)37-28-38-62(70)50(15)16)77(76,71-63(51(17)18)39-29-40-64(71)52(19)20)72-65(53(21)22)41-30-42-66(72)54(23)24/h25-54,75-76H,1-24H3/t75-,76?/m1/s1
dc.identifier InChIKey=UZUPJIYAGSJJSA-UASIYQSQSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-13973
dc.identifier.uri http://dx.doi.org/10.14469/ch/13946
dc.description.uri Scheschkewitz
dc.description.uri 8DiP freq
dc.format.extent 10690 bytes
dc.format.extent 4563614 bytes
dc.format.extent 71635670 bytes
dc.format.extent 21801 bytes
dc.format.extent 336 bytes
dc.format.extent 156 bytes
dc.format.extent 0 bytes
dc.format.extent 13 bytes
dc.format.extent 9 bytes
dc.format.extent 44704 bytes
dc.format.extent 11448 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/C72H104Si5/c1-43(2)55-31-25-32-56(44(3)4)67(55)73(68-57(45(5)6)33-26-34-58(68)46(7)8)74(69-59(47(9)10)35-27-36-60(69)48(11)12)76-75(70-61(49(13)14)37-28-38-62(70)50(15)16)77(76,71-63(51(17)18)39-29-40-64(71)52(19)20)72-65(53(21)22)41-30-42-66(72)54(23)24/h25-54,75-76H,1-24H3/t75-,76?/m1/s1
dc.subject.ddc InChIKey=UZUPJIYAGSJJSA-UASIYQSQSA-N
dc.subject.ddc [Si]1([Si](c2c(cccc2C(C)C)C(C)C)([Si]1\[Si](=[Si](/c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
dc.subject.ddc AX3
dc.subject.ddc Freq
dc.subject.ddc RB3LYP
dc.subject.ddc 6-31G(d,p)
dc.subject.ddc EM64L-G09RevC.01
dc.subject.ddc 1-A
dc.subject.ddc -4252.6984961
dc.subject.ddc 5.179e-09
dc.subject.ddc 4.289e-05
dc.subject.ddc 1135.8979015,-3.8081631,968.6165711,-15.6807956,13.0686176,854.953345
dc.subject.ddc X(C72H102Si5)
dc.title C 72 H 102 Si 5
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 10.43Kb chemical/x-gaussian-input View/Open
logfile.out 4.352Mb chemical/x-gaussian-log View/Open
checkpoint.fchk 68.31Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 21.29Kb chemical/x-cml View/Open
inchi.txt 336bytes chemical/x-inchi View/Open
smiles.txt 156bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 13bytes Text file View/Open
description.txt 9bytes Text file View/Open
archive-cml-1.xml 43.65Kb chemical/x-cml View/Open

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