TY - RPRT TI - First-Principles Insights into Proton-Coupled Electron Transfer versus Hydrogen Evolution Reaction Selectivity from a Base-Appended Cobaltocene Mediator AU - Banerjee, Sayan [California Institute of Technology (CalTech), Pasadena, CA (United States)] (ORCID:0000000285869236) AU - Peters, Jonas C. [California Institute of Technology (CalTech), Pasadena, CA (United States)] (ORCID:0000000266104414) PY - 2026 DO - 10.1021/acs.inorgchem.6c03389 UR - https://www.osti.gov/biblio/3796130 ID - 3796130 ER -