cyclopropylidene dimerisation, exo, G = -230.413639
DOI: 10.14469/hpc/8470 Metadata
Created: 2021-07-18 09:35
Last modified: 2021-07-21 07:29
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 853 | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 109KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 480KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 1KB | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
Gibbs_Energy | -230.413639 |
inchi | InChI=1S/2C3H2/c2*1-2-3-1/h2*1-2H |
inchikey | PJFGBPUPLVHKCX-UHFFFAOYSA-N |