Brunel University Research Archive(BURA) preserves and enables easy and open access to all
types of digital content. It showcases Brunel's research outputs.
Research contained within BURA is open access, although some publications may be subject
to publisher imposed embargoes. All awarded PhD theses are also archived on BURA.
Browsing by Subject Density functional theory (DFT) calculations
Showing results 1 to 1 of 1
| Issue Date | Title | Author(s) |
|---|---|---|
| 6-Nov-2015 | Formation, structure and magnetism of the γ-(Fe,M)23C6 (M = Cr, Ni) phases: A first-principles study | Fang, CM; van Huis, MA; Sluiter, MHF |