QTAIM analysis of system with close H...H contact
DOI: 10.14469/hpc/250 Metadata
Created: 2016-02-13 18:11
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
QTAIM analysis performed using AIMALL.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| HH.sum | 439KB | application/octet-stream | QTAIM input and two outputs |
| HH-all.sum | 691KB | application/octet-stream | QTAIM input and two outputs |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchikey | Open Babel 2.3.90 -- Nov 10 2015 -- 17:34:14 |