C 8 H 17 B 1 O 2

DSpace/Manakin Repository

C 8 H 17 B 1 O 2

dc.contributor Henry S Rzepa
dc.creator Henry S Rzepa
dc.date.accessioned 2012-02-16T15:16:59Z
dc.date.available 2012-02-16T15:16:59Z
dc.date.issued 2012-02-16T15:16:59Z
dc.identifier InChI=1S/C8H17BO2/c1-6-8(3)11-9(4,5)10-7-2/h6-7H,1-5H3/b8-6-
dc.identifier InChIKey=UTTCJVMRYVWJMP-VURMDHGXSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-12505
dc.description.uri 3rd year
dc.description.uri borate chair TS 6-311G(d,p) wB97XD
dc.format.extent 2789 bytes
dc.format.extent 620274 bytes
dc.format.extent 2293556 bytes
dc.format.extent 3703 bytes
dc.format.extent 98 bytes
dc.format.extent 30 bytes
dc.format.extent 0 bytes
dc.format.extent 8 bytes
dc.format.extent 34 bytes
dc.format.extent 6168 bytes
dc.format.extent 10575 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=1S/C8H17BO2/c1-6-8(3)11-9(4,5)10-7-2/h6-7H,1-5H3/b8-6-
dc.subject.ddc InChIKey=UTTCJVMRYVWJMP-VURMDHGXSA-N
dc.subject.ddc [CH]([C](O[B](O[CH]C)(C)C)C)C
dc.subject.ddc CX1-1-10-3
dc.subject.ddc FTS
dc.subject.ddc RwB97XD
dc.subject.ddc 6-311G(d,p)
dc.subject.ddc EM64L-G09RevC.01
dc.subject.ddc 1-A
dc.subject.ddc -490.3926041
dc.subject.ddc 7.358e-09
dc.subject.ddc 8.866e-06
dc.subject.ddc X(C8H17B1O2)
dc.title C 8 H 17 B 1 O 2
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 2.723Kb chemical/x-gaussian-input View/Open
logfile.out 605.7Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 2.187Mb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.616Kb chemical/x-cml View/Open
inchi.txt 98bytes chemical/x-inchi View/Open
smiles.txt 30bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes Unknown View/Open
project.txt 8bytes Text file View/Open
description.txt 34bytes Text file View/Open
archive-cml-1.xml 6.023Kb chemical/x-cml View/Open

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