VAJHAP, NBO
DOI: 10.14469/hpc/11150 Metadata
Created: 2022-09-11 09:11
Last modified: 2022-09-12 07:08
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| VAJHAP-5.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| VAJHAP-5.log | 364KB | chemical/x-gaussian-log | Gaussian log file |
| VAJHAP.fchk | 9MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 3KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11148 | What is the largest angle possible at 4-coordinate carbon? |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C11H10/c1-2-4-8-7(3-1)9-5-11(9)6-10(8)11/h1-4,9-10H,5-6H2/t9-,10-,11+/m0/s1 |
| inchikey | AMKTWDDHZREJTB-GARJFASQSA-N |