1. Dipartimento di Chimica, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, I-10125 Torino, Italy
2. Université de Lorraine – Nancy, CNRS, Laboratoire de Physique et Chimie Théoriques, UMR 7019, 54506 Vandœuvre-lès-Nancy, France
3. University of Stuttgart, Molpro Quantum Chemistry Software, Institute of Theoretical Chemistry, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
4. Institute for Molecular Science and Engineering, Department of Chemistry, Imperial College London, White City Campus, 80 Wood Lane, W12 0BZ London, United Kingdom
5. Oxford e-Research Centre, University of Oxford, 7 Keble Road, Oxford OX1 3QG, United Kingdom
6. Sorbonne Université, CNRS-INSU, ISTeP UMR 7193, F-75005 Paris, France
7. Université de Pau et des Pays de L’Adour, E2S UPPA, CNRS, IPREM, Pau, France
8. Dipartimento di Ingengeria Chimica, dei Materiali e delle Produzioni Industriali DICMAPI, Università degli Studi di Napoli Federico II, Piazzale Vincenzo Tecchio 80, 80125 Napoli, Italy
9. Advanced Materials Lab, Samsung Research America, 3 Van de Graaff Drive, Burlington, Massachusetts 01803, USA
10. Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA
11. CNRS and Sorbonne Université, UMR 7588, Institut des Nanosciences de Paris (INSP), 4 place Jussieu, 75005 Paris, France
12. Curtin Institute for Computation, The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, GPO Box U1987, Perth, WA 6845, Australia
13. Pawsey Supercomputing Centre, 26 Dick Perry Avenue, Kensington, WA 6151, Australia