Publikationen von Gustavo T. Feliciano

Feliciano, G. T.; Auer, A. A.: Toward Explicit Solvation for Simulations of Electrocatalytic Reactions: AIMD for pKa and Redox Potentials of Transition Metal Compounds and Catalyst Models. The Journal of Physical Chemistry A 129 (6), S. 1757 - 1768 (2025)