1. Computer Simulation & Modeling Laboratory, Parc Científic de Barcelona, Baldiri Reixac 4, 08028 Barcelona, Spain
2. Institute for Computational Molecular Science, Temple University, 1900 North 12th Street, Philadelphia, Pennsylvania 19122, United States
3. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
4. Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, 08028 Barcelona, Spain
5. Institució Catalana de Recerca i Estudis Avançats (ICREA), 08010 Barcelona, Spain
6. Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom