Humboldt-Universität zu Berlin - Mathematisch-Naturwissenschaftliche Fakultät - SFB 1109

Publications in Project C03



R. Pandharkar, C. Becker, J. Budau, Z. Kaawa, B. Paulus

A Computational Study of AlF3 and ACF Surfaces

Inorganics 2018, 6, 124.


J. Schacht, J. Budau, N. Gaston, B. Paulus

Aluminum oxo-fluoride clusters: A first principle investigation of stability, synthetic considerations, and the interaction with water

J. Comp. Chem. 2018, 39, 1208-1214.


J. H. Budau, B. Paulus, K. G. Steenbergen

Theoretical investigation of the crystal structure of AlOF

Chem. Phys. 2017, 491, 112-117.


J. Wirth, J. Schacht, P. Saalfrank, B. Paulus

Fluorination of the Hydroxylated α-Al2O3 (0001) and Its Implications for Water Adsorption: A Theoretical Study

J. Phys. Chem. C 2016, 120, 9713-9718.