Nitric oxide monomer, G = -129.917471 *2 = -259.834942
DOI: 10.14469/hpc/15472 Metadata
Created: 2025-08-15 10:30
Last modified: 2025-08-16 16:27
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| nirric-oxide.gjf | 246 | chemical/x-gaussian-input | Gaussian input file |
| nirric-oxide.log | 82KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 339KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 407 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15480 | The even more mysterious N≡N triple bond in nitric oxide dimer. |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -129.917471 |
| inchi | InChI=1S/NO/c1-2 |
| inchikey | MWUXSHHQAYIFBG-UHFFFAOYSA-N |