1. Department of Chemistry and
Biochemistry and Department of Civil Engineering and Geological Sciences, University of Notre Dame, 156 Fitzpatrick Hall, Notre
Dame, Indiana 46556, United States
2. Department of Chemistry and
Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States
3. Forschungszentrum Jülich
GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich, Germany
4. Institut für Kristallographie, RWTH Aachen University, D-52056 Aachen, Germany
5. Institut für Geowissenschaften, Universität zu Kiel, 24118 Kiel, Germany