On the applicability of density functional theory to manganese-based complexes with catalytic activity toward water oxidation. - José A. Gámez 002; Markus Hölscher; Walter Leitner (J. Comput. Chem., 2017)

An automated method for graph-based chemical space exploration and transition state finding. - Pablo Ramos-Sánchez; Jeremy N. Harvey; José A. Gámez 002 (J. Comput. Chem., 2023)