C 4 H 3 N 1 O 3

DSpace/Manakin Repository

C 4 H 3 N 1 O 3

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-11-22T09:23:14Z
dc.date.available 2012-11-22T09:23:14Z
dc.date.issued 2012-11-22
dc.identifier InChI=1S/C4H3NO3/c1-2-3(6)4(7)8-5-2/h1H3
dc.identifier InChIKey=DBGRQMHRTHKSDX-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/21965
dc.identifier.uri http://dx.doi.org/10.14469/ch/15926
dc.description # freq rwb97xd/6-311g(d,p) opt integral=grid=ultrafine
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 4 H 3 N 1 O 3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 813bytes chemical/x-gaussian-input View/Open
logfile.log 216.1Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 260.4Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 1.505Kb chemical/x-cml View/Open
inchi.txt 78bytes chemical/x-inchi View/Open
smiles.txt 18bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
description.txt 128bytes Text file View/Open
archive-cml-1.xml 3.548Kb chemical/x-cml View/Open
archive-cml-2.xml 4.955Kb chemical/x-cml View/Open

This item appears in the following Collection(s)

Search DSpace


Advanced Search

Browse

My Account