Affiliation: | 1. Lehrstuhl Anorganische Chemie II, Universit?t Bayreuth, Universit?tsstrasse 30, NW I, 95440 Bayreuth (Germany), Fax: (+49)?921552157;2. Laboratory for Computational Molecular Design, Ecole Polytechnique Fédérale de Lausanne, Institut des Sciences et Ingénierie Chimiques, 1015 Lausanne (Switzerland);3. Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota, Minneapolis, MI 55455 (USA) |