Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description

Siani, P; Motta, S; Ferraro, L; Dohn, AO; Di Valentin, C

Di Valentin, C (corresponding author), Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020; 16 (10): 6560