1. Solid State Chemistry, Research & Development, AbbVie Inc., North Chicago, IL 60064
2. Department of Chemistry, New York University, New York, NY 10003
3. Courant Institute of Mathematical Sciences, New York University, New York, NY 10012
4. New York University–East China Normal University Center for Computational Chemistry at New York University Shanghai, Shanghai 200062, China
5. Simons Center for Computational Physical Chemistry at New York University, New York, NY 10003