A noniterative mean-field QM/MM-type approach with a linear response approximation toward an efficient free-energy evaluation. - Kentaro Kido (J. Comput. Chem., 2019)

Conformation, hydration, and ligand exchange process of ruthenium nitrosyl complexes in aqueous solution: Free-energy calculations by a combination of molecular-orbital theories and different solvent models. - Kentaro Kido; Masashi Kaneko (J. Comput. Chem., 2023)