Affiliation: | 1. Equipe de Chimie et Biochimie Théoriques, SRSMC, CNRS, University of Lorraine, BP 70239, 54506 Vandoeuvre‐les‐Nancy (France);2. Departament de Química Biològica i Modelització Molecular, IQAC‐CSIC, Barcelona (Spain);3. Department of Chemistry and Department of Earth and Atmospheric Science, Purdue University (USA) |