Stock, P.; Buck, M.; Erbe, A.; Grohmann, A. N.: Iron(II) complexes of tripodal ligands anchored on gold(111). 1st EuCheMS Inorganic Chemistry Conference, Manchester, UK (2011)
In this project we study a new strategy for the theory-guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical approach in conjunction with experiments. Parameter-free density functional theory calculations are used to provide theoretical guidance in selecting and optimizing Ti-based alloys...
