bis(i-Pr3C)- cyclopropylidene, G = -900.100873
DOI: 10.14469/hpc/8720 Metadata
Created: 2021-08-16 12:05
Last modified: 2021-08-16 16:18
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| i-Pr3-cyclopropenylidene.gjf | 3KB | chemical/x-gaussian-input | Gaussian input file |
| i-Pr3-cyclopropenylidene.log | 2MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 8MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 9KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -900.100873 |
| inchi | InChI=1S/C23H42/c1-14(2)22(15(3)4,16(5)6)20-13-21(20)23(17(7)8,18(9)10)19(11)12/h14-19H,1-12H3 |
| inchikey | URNBAKOCMRERTC-UHFFFAOYSA-N |