Bühl, M.; Vinković Vrček, I.; Kabrede, H. Dehalogenation of Chloroalkenes at Cobalt Centers. A Model Density Functional Study. Organometallics 2007, 26, 1494–1504.

Bühl, M.; Grigoleit, S.; Kabrede, H.; Mauschick, F. T. Simulation of ⁵⁹Co NMR Chemical Shifts in Aqueous Solution. Chemistry-A European Journal 2006, 12, 477–488.

Bühl, M.; Kabrede, H. Acidity of Uranyl(VI) Hydrate Studied with First-Principles Molecular Dynamics Simulations. ChemPhysChem 2006, 7, 2290–2293.

Bühl, M.; Kabrede, H. Geometries of Transition-Metal Complexes from Density-Functional Theory. Journal of Chemical Theory and Computation 2006, 2, 1282–1290.

Bühl, M.; Kabrede, H. Mechanism of Water Exchange in Aqueous Uranyl(VI) Ion. A Density Functional Molecular Dynamics Study. Inorganic Chemistry 2006, 45, 3834–3836.

Bühl, M.; Kabrede, H.; Diss, R.; Wipff, G. Effect of Hydration on Coordination Properties of Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study. Journal of the American Chemical Society 2006, 128, 6357–6368.

Kabrede, H. Using Vibrational Modes in the Search for Global Minima of Atomic and Molecular Clusters. Chemical Physics Letters 2006, 430, 336–339.