C 39 H 32 S 3 Si 2

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C 39 H 32 S 3 Si 2

dc.contributor Henry S Rzepa
dc.date.accessioned 2013-10-02T04:42:57Z
dc.date.available 2013-10-02T04:42:57Z
dc.date.issued 2013-10-02
dc.identifier InChI=1S/C39H32S3Si2/c1-7-19-34-28(13-1)25-40-31-16-4-10-22-37(31)44-38-23-11-5-17-32(38)41-26-29-14-2-8-20-35(29)43(34)36-21-9-3-15-30(36)27-42-33-18-6-12-24-39(33)44/h1-24,43-44H,25-27H2/t43-,44+
dc.identifier InChIKey=SBEUQCUCKCNPCC-PIYFIQLCSA-N
dc.identifier.uri http://hdl.handle.net/10042/25142
dc.identifier.uri http://dx.doi.org/10.14469/ch/19103
dc.description # opt B3LYP/TZVP integral=grid=ultrafine freq pop(savenbos) output=wfn
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 39 H 32 S 3 Si 2
dc.type Gaussian job archive


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input.gjf 4.586Kb chemical/x-gaussian-input View/Open
logfile.log 3.549Mb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 9.435Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 9.834Kb chemical/x-cml View/Open
inchi.txt 235bytes chemical/x-inchi View/Open
smiles.txt 79bytes chemical/x-smiles View/Open
wavefunction.wfn 4.964Mb chemical/x-wavefunction View/Open
description.txt 138bytes Text file View/Open
archive-cml-1.xml 13.72Kb chemical/x-cml View/Open
archive-cml-2.xml 21.00Kb chemical/x-cml View/Open

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