| Title | Density functional theory study on the effect of OH and Cl adsorption on the surface structure of α-Fe2O3 |
| Publication Type | Journal Article |
| Year of Publication | 2017 |
| Authors | Pang, Q, DorMohammadi, H, O. Isgor, B, Árnadóttir, L |
| Journal | Computational and Theoretical Chemistry |
| Volume | 1100 |
| Pagination | 91 - 101 |
| Date Published | Jan-01-2017 |
| ISSN | 2210271X |
| URL | https://www.sciencedirect.com/science/article/abs/pii/S2210271X16304959 |
| DOI | 10.1016/j.comptc.2016.12.009 |
| Short Title | Computational and Theoretical Chemistry |