H. Kabrede

发表

Using vibrational modes in the search for global minima of atomic and molecular clusters

H. Kabrede, H. Kabrede, 2006 .

Effect of hydration on coordination properties of uranyl(VI) complexes. A first-principles molecular dynamics study.

M. Bühl, G. Wipff, H. Kabrede, 2006, Journal of the American Chemical Society.

Acidity of Uranyl(VI) Hydrate Studied with First‐Principles Molecular Dynamics Simulations

M. Bühl, H. Kabrede, 2006 .

Simulation of 59Co NMR chemical shifts in aqueous solution.

M. Bühl, H. Kabrede, Sonja Grigoleit, 2005, Chemistry.

Spinodal decomposition in a 3D Lennard–Jones system

R. Hentschke, H. Kabrede, 2006 .

Temporal and spatial distribution of minority carriers in semiconductors generated by modulated inhomogeneous illumination

P. Würfel, H. Kabrede, 2000 .

Geometries of Transition-Metal Complexes from Density-Functional Theory.

Michael Bühl, M. Bühl, H. Kabrede, 2006, Journal of chemical theory and computation.

Mechanism of water exchange in aqueous uranyl(VI) ion. A density functional molecular dynamics study.

M. Bühl, H. Kabrede, 2006, Inorganic chemistry.

An improved genetic algorithm for global optimization and its application to sodium chloride clusters

R. Hentschke, R. Hentschke, H. Kabrede, 2002 .

Global Minima of Water Clusters (H2O)N, N ≤ 25, Described by Three Empirical Potentials

R. Hentschke, R. Hentschke, H. Kabrede, 2003 .