Publications of H. Kabrede

Bühl, M.; Vinković Vrček, I.; Kabrede, H.: Dehalogenation of chloroalkenes at cobalt centers. A model density functional study. Organometallics 26, pp. 1494 - 1504 (2007)

Bühl, M.; Grigoleit, S.; Kabrede, H.; Mauschick, F. T.: Simulation of ⁵⁹Co NMR chemical shifts in aqueous solution. Chemistry-A European Journal 12, pp. 477 - 488 (2006)

Bühl, M.; Kabrede, H.: Acidity of uranyl(VI) hydrate studied with first-principles molecular dynamics simulations. ChemPhysChem 7, pp. 2290 - 2293 (2006)

Bühl, M.; Kabrede, H.: Geometries of transition-metal complexes from density-functional theory. Journal of Chemical Theory and Computation 2, pp. 1282 - 1290 (2006)

Bühl, M.; Kabrede, H.: Mechanism of water exchange in aqueous uranyl(VI) ion. A density functional molecular dynamics study. Inorganic Chemistry 45, pp. 3834 - 3836 (2006)

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 128, pp. 6357 - 6368 (2006)

Kabrede, H.: Using vibrational modes in the search for global minima of atomic and molecular clusters. Chemical Physics Letters 430, pp. 336 - 339 (2006)