1. Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
2. National Center for Competence in Research─Catalysis (NCCR-Catalysis), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
3. National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland