Orca simulation

DSpace/Manakin Repository

dc.contributor	Henry S Rzepa
dc.date.accessioned	2009-06-02T07:33:00Z
dc.date.available	2009-06-02T07:33:00Z
dc.date.issued	2009-06-02T07:33:00Z
dc.identifier	InChI=1/B6H6/c1-2-4-6-5-3-1/h1-6H
dc.identifier	InChIKey=ADZYXLXHTYFWJG-UHFFFAOYSA-N
dc.identifier.uri	http://hdl.handle.net/10042/to-2253
dc.identifier.uri	http://dx.doi.org/10.14469/ch/2228
dc.description.uri	Boron
dc.description.uri	B6 2+ orca
dc.format.extent	425 bytes
dc.format.extent	243000 bytes
dc.format.extent	880 bytes
dc.format.extent	71 bytes
dc.format.extent	12 bytes
dc.format.extent	5 bytes
dc.format.extent	10 bytes
dc.format.extent	6914 bytes
dc.format.mimetype	text/plain
dc.format.mimetype	text/plain
dc.format.mimetype	chemical/x-cml
dc.format.mimetype	chemical/x-inchi
dc.format.mimetype	chemical/x-smiles
dc.format.mimetype	text/plain
dc.format.mimetype	text/plain
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/B6H6/c1-2-4-6-5-3-1/h1-6H
dc.subject.ddc	InChIKey=ADZYXLXHTYFWJG-UHFFFAOYSA-N
dc.subject.ddc	B1=BB=BB=B1
dc.title	Orca simulation
dc.type	Orca job archive

Files	Size	Format	View
input.dat	425bytes	Text file	View/Open
output.dat	237.3Kb	Text file	View/Open
cml.xml	880bytes	chemical/x-cml	View/Open
inchi.txt	71bytes	chemical/x-inchi	View/Open
smiles.txt	12bytes	chemical/x-smiles	View/Open
project.txt	5bytes	Text file	View/Open
description.txt	10bytes	Text file	View/Open