bromate incorporation in calcium carbonates - density functional theory data
| Main Authors: | Grau-Crespo, Ricardo, Fleitmann, Dominik, Midgley, Scott D. |
|---|---|
| Format: | info dataset Journal |
| Bahasa: | eng |
| Terbitan: |
, 2021
|
| Subjects: | |
| Online Access: |
https://zenodo.org/record/5035293 |
Daftar Isi:
- Dataset relating to publication on bromate incorporation in calcium carbonate phases calcite and aragonite, by SDM, DF, and RGC. Configurations generated using Site Occupancy Disorder code and structural optimisation carried out within the density functional theory.