1. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, BS8 1TS, UK
2. European Spallation Source, Ole Maaløes Vej 3, 2200 København N, Denmark
3. Diamond Light Source, Harwell Campus, Didcot, OX11 0DE, UK
4. Applied Sciences, bp Innovation and Engineering, BP plc, Saltend, Hull, HU12 8DS, UK
5. Applied Sciences, bp Innovation and Engineering, BP plc, 30 South Wacker Drive, Chicago, IL 60606, USA