1. EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom
2. Interactive Scientific, Engine Shed, Station Approach, Bristol BS1 6QH, United Kingdom
3. Intangible Realities Laboratory, University of Bristol, Cantock’s Close, Bristol BS8 1TS, United Kingdom
4. Department of Computer Science, University of Bristol, Merchant Venture’s Building, Bristol BS8 1UB, United Kingdom
5. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, United Kingdom