Di-t-butyl cyclopropenylidene monomer G = -429.207937 (-858.390346)
DOI: 10.14469/hpc/8713 Metadata
Created: 2021-08-15 06:53
Last modified: 2021-08-15 07:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| log_10080034-3.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| log_10080034-3.log | 196KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 1MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 4KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -429.207937 |
| inchi | InChI=1S/C11H18/c1-10(2,3)8-7-9(8)11(4,5)6/h1-6H3 |
| inchikey | KVZQDOBJCTVJJT-UHFFFAOYSA-N |