Rotamers 21 to 31
DOI: 10.14469/hpc/10507 Metadata
Created: 2022-05-16 18:32
Last modified: 2022-05-21 09:37
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Rotamers 21 to 31
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Rzepa_21.log | 3MB | chemical/x-gaussian-log | |
| Rzepa_21.gjf | 13KB | chemical/x-gaussian-input | |
| opt.cml | 2KB | chemical/x-cml | |
| checkpoint.fchk | 8MB | chemical/x-gaussian-checkpoint |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10395 | 4.1 - Conformational analysis of 2,2,3,3,4,4,5,5-octafluoropentan-1-ol |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2 |
| inchikey | JUGSKHLZINSXPQ-UHFFFAOYSA-N |