C9H13F3O3S

DSpace/Manakin Repository

C9H13F3O3S

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-10-31T14:42:53Z
dc.date.available 2012-10-31T14:42:53Z
dc.date.issued 2012-10-31
dc.identifier InChI=1S/C8H13.CF3O3S/c1-7-5-3-4-6-8(7)2;2-1(3,4)8(5,6)7/h3H,4-6H2,1-2H3;
dc.identifier InChIKey=OJONDLBWUYRBMP-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/21396
dc.identifier.uri http://dx.doi.org/10.14469/ch/15357
dc.description 2nd_year
dc.description triflate TS 1,2 H migration IRC
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C9H13F3O3S
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.927Kb chemical/x-gaussian-input View/Open
logfile.log 4.555Mb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 1013.Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.719Kb chemical/x-cml View/Open
inchi.txt 111bytes chemical/x-inchi View/Open
smiles.txt 42bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
project.txt 8bytes Text file View/Open
description.txt 31bytes Text file View/Open

This item appears in the following Collection(s)

Search DSpace


Advanced Search

Browse

My Account