Nitrosyl chloride + methanol + methanol Def2-TZVPP IRC
DOI: 10.14469/hpc/15291 Metadata
Created: 2025-06-19 05:50
Last modified: 2025-06-24 15:45
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| checkpoint-2.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| checkpoint-2.log | 2MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint-2.fchk | 5MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 2KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 16MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/13171 | The "double-headed" Curly arrow in mechanistic representations |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/CH3NO2.CH4O.ClH/c1-4-2-3;1-2;/h1H3;2H,1H3;1H |
| inchikey | CLMPNOONPAKZGI-UHFFFAOYSA-N |