Sr2 (2-) excited singlet and Ba2 (2-) excited singlet
DOI: 10.14469/hpc/3093 Metadata
Created: 2017-09-20 11:12
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| ba.log | 298KB | chemical/x-gaussian-log | Gaussian output file |
| sr.log | 320KB | chemical/x-gaussian-log | Gaussian output file |
| Ba.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| Sr.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3381 | Hyperbonds by Rydberg excitations |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2Ba |
| inchi | InChI=1S/2Sr |
| inchikey | MTDMHAKNYZTKQR-UHFFFAOYSA-N |
| inchikey | VVJRYKIRUIWNGU-UHFFFAOYSA-N |