Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry (Q2810206): Difference between revisions
From MaRDI portal
Created claim: Wikidata QID (P12): Q86395389, #quickstatements; #temporary_batch_1706881316814 |
Added link to MaRDI item. |
||
| links / mardi / name | links / mardi / name | ||
Revision as of 17:58, 3 February 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry |
scientific article |
Statements
Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry (English)
0 references
1 June 2016
0 references
crystal structure prediction
0 references
quantum mechanics/molecular mechanics
0 references
density functional theory
0 references
blind test
0 references
