1. Contribution from Ecole Nationale Superiere de Chimie, Université de Montpellier, UMR 5618 CNRS, 8 rue de l'Ecole Normale, 34296 Montpellier Cédex 5, France, the Catalysis Division, National Chemical Laboratory, Pune 411008, India, the Computing Center, Slovak Academy of Sciences, Dubravska cesta 9, 84235 Bratislava, Slovak Republic, the Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, 84235 Bratislava, Slovak Republic, and the Département de Chimie, Université de Montréal...