TS for 1,2-epoxidation of 1,1-di-t-butyl allene
DOI: 10.14469/hpc/659 Metadata
Created: 2016-06-15 21:06
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 3KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 622KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 5MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 5KB | chemical/x-cml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/442 | Regioselective epoxidation of substituted bromoallenes. |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C11H20.C3H6O2/c1-8-9(10(2,3)4)11(5,6)7;1-3(2,4)5/h1H2,2-7H3;1-2H3 |
inchi | InChI=1S/C11H20.C3H6O2/c1-8-9(10(2,3)4)11(5,6)7;1-3(2)4-5-3/h1H2,2-7H3;1-2H3 |
inchikey | JPYCWMSPDRXDSK-UHFFFAOYSA-N |
inchikey | KNRBSBKWKOGONR-UHFFFAOYSA-N |