Affiliation: | 1. Department of Chemistry, Kathleen Lonsdale Materials Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ (United Kingdom), Fax: (+44)?(0)20?7679 0493;2. Computational Science and Engineering Department, STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD (United Kingdom) |