H 3 B 1

DSpace/Manakin Repository

H 3 B 1

dc.contributor Simon Nizard
dc.creator Simon Nizard
dc.date.accessioned 2011-11-29T16:17:56Z
dc.date.available 2011-11-29T16:17:56Z
dc.date.issued 2011-11-29T16:17:56Z
dc.identifier No identifier
dc.identifier InChI=1/BH3/h1H3
dc.identifier InChIKey=UORVGPXVDQYIDP-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-10523
dc.identifier.uri http://dx.doi.org/10.14469/ch/10497
dc.description.uri No project
dc.description.uri No description
dc.format.extent 409 bytes
dc.format.extent 32696 bytes
dc.format.extent 18228 bytes
dc.format.extent 582 bytes
dc.format.extent 54 bytes
dc.format.extent 2 bytes
dc.format.extent 0 bytes
dc.format.extent 11 bytes
dc.format.extent 15 bytes
dc.format.extent 2249 bytes
dc.format.extent 10555 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 Simon Nizard
dc.subject.ddc InChI=1/BH3/h1H3
dc.subject.ddc InChIKey=UORVGPXVDQYIDP-UHFFFAOYSA-N
dc.subject.ddc B
dc.subject.ddc CX1-14-33-2
dc.subject.ddc SP
dc.subject.ddc RB3LYP
dc.subject.ddc 6-31G
dc.subject.ddc nbo
dc.subject.ddc full
dc.subject.ddc EM64L-G09RevB.01
dc.subject.ddc 1-A1'
dc.subject.ddc -26.6059593
dc.subject.ddc 1.749e-09
dc.subject.ddc O(B1),3C2(H1)
dc.title H 3 B 1
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 409bytes chemical/x-gaussian-input View/Open
logfile.out 31.92Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 17.80Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 582bytes chemical/x-cml View/Open
inchi.txt 54bytes chemical/x-inchi View/Open
smiles.txt 2bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 11bytes Text file View/Open
description.txt 15bytes Text file View/Open
archive-cml-1.xml 2.196Kb chemical/x-cml View/Open

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