Di-t-Butyl-cyclopropylidene dimerisation, exo, C2h
DOI: 10.14469/hpc/8706 Metadata
Created: 2021-08-13 17:23
Last modified: 2021-08-15 06:53
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 | 2MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 7MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 7KB | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Associated DOIs
Current dataset ... | DOI | Description |
---|---|---|
References | 10.14469/hpc/8713 | Energy of monomer |
Subject Keywords
Keyword | Value |
---|---|
Gibbs_Energy | -858.390346 |
inchi | InChI=1S/2C11H18/c2*1-10(2,3)8-7-9(8)11(4,5)6/h2*1-6H3 |
inchikey | JGXHEBYHUIMQCI-UHFFFAOYSA-N |