NS radical monomer, G = -452.894396, *2 = -905.788792
DOI: 10.14469/hpc/15494 Metadata
Created: 2025-08-23 07:25
Last modified: 2025-08-25 07:05
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| NS.gjf | 249 | chemical/x-gaussian-input | Gaussian input file |
| NS.log | 95KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 437KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 397 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -452.894396 |
| inchi | InChI=1S/NS/c1-2 |
| inchikey | QXTCFDCJXWLNAP-UHFFFAOYSA-N |