N 3 O 3 3

DSpace/Manakin Repository

N 3 O 3 3

dc.contributor Henry S Rzepa
dc.date.accessioned 2009-11-18T11:23:31Z
dc.date.available 2009-11-18T11:23:31Z
dc.date.issued 2009-11-18T11:23:31Z
dc.identifier InChI=1/N3O3/c1-4-2-6-3-5-1
dc.identifier InChIKey=FAWRSLNCOQLNHU-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/to-2905
dc.identifier.uri http://dx.doi.org/10.14469/ch/2880
dc.description.uri blog
dc.description.uri no exchange
dc.format.extent 506 bytes
dc.format.extent 36032 bytes
dc.format.extent 219709 bytes
dc.format.extent 855 bytes
dc.format.extent 65 bytes
dc.format.extent 12 bytes
dc.format.extent 63512 bytes
dc.format.extent 4 bytes
dc.format.extent 11 bytes
dc.format.extent 3636 bytes
dc.format.extent 10743 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/N3O3/c1-4-2-6-3-5-1
dc.subject.ddc InChIKey=FAWRSLNCOQLNHU-UHFFFAOYSA-N
dc.subject.ddc N1=ON=ON=O1
dc.subject.ddc CX1-15-36-2
dc.subject.ddc Freq
dc.subject.ddc RB3LYP
dc.subject.ddc 6-31G(d)
dc.subject.ddc EM64L-G09RevA.02
dc.subject.ddc 1-A
dc.subject.ddc -387.4904833
dc.subject.ddc 2.135e-09
dc.subject.ddc 1.325e-04
dc.subject.ddc 34.98938,0.0128938,35.0732735,0.2235734,-0.0174821,14.6627226
dc.subject.ddc X(N3O3)
dc.title N 3 O 3 3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 506bytes chemical/x-gaussian-input View/Open
logfile.out 35.18Kb chemical/x-gaussian-log View/Open
checkpoint.fchk 214.5Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 855bytes chemical/x-cml View/Open
inchi.txt 65bytes chemical/x-inchi View/Open
smiles.txt 12bytes chemical/x-smiles View/Open
wavefunction.wfn 62.02Kb chemical/x-wavefunction View/Open
project.txt 4bytes Text file View/Open
description.txt 11bytes Text file View/Open
archive-cml-1.xml 3.550Kb chemical/x-cml View/Open

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