CrN123: QTAIM analysis
DOI: 10.14469/hpc/1985 Metadata
Created: 2016-12-17 09:20
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
QTAIM analysis of Cr system with three different types of CrN bond.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| crn3.mgp | 255KB | application/octet-stream | QTAIM dataset |
| crn3.wfn | 1MB | chemical/x-gaussian-wavefunction | Wavefunction dataset |
| crn3.mgpviz | 11MB | application/octet-stream | AIMALL visualisation dataset |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/1986 | AIMALL software site |