Bicyclo B4, CCSD(T)/Def2-TZVPPD calculation
DOI: 10.14469/hpc/10257 Metadata
Created: 2022-03-19 14:24
Last modified: 2022-03-19 15:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| B4a.fchk | 982KB | chemical/x-gaussian-checkpoint | Gaussian checkpoint file |
| B4-d2h.log | 118KB | chemical/x-gaussian-log | Gaussian log file |
| B4-d2h.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/B4/c1-3-2-4(1)3 |
| inchikey | DUMGZBWLOVNUMF-UHFFFAOYSA-N |