Lu(Cp)3, Def2-SVP
DOI: 10.14469/hpc/10515 Metadata
Created: 2022-05-21 07:04
Last modified: 2022-05-21 09:29
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| SIDYAH.gjf | 5KB | chemical/x-gaussian-input | Gaussian input file |
| SIDYAH.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 7MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 4KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/3C5H5.Lu/c3*1-2-4-5-3-1;/h3*1-5H; |
| inchikey | DBTHDEQTENZJIH-UHFFFAOYSA-N |