H+ on its own, G = -0.170454
DOI: 10.14469/hpc/12765 Metadata
Created: 2023-07-02 07:34
Last modified: 2024-06-23 08:13
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 73631-6.gjf | 262 | chemical/x-gaussian-input | Gaussian input file |
| 73631-6.log | 22KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 81KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 240 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/14360 | Cyclopentene synthesis by dimerisation of methylene cyclopropanes: Computational data@ Def2-TZVPP |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -0.170454 |
| inchi | InChI=1S/H |
| inchikey | YZCKVEUIGOORGS-UHFFFAOYSA-N |