Molecular dynamics 3 Vibrational dynamics Aqueous environment 2 Condensed matter physics 2 Condensed matter system 2 DFT 2 Dimers 2 Machinery 2 Mechanics 2 Molecular dynamics simulations 2 Molecular mechanics 2 Periodic boundary conditions 2 Phase interfaces 2 QM-MM 2 Quantum theory 2 Solid-liquid interfaces 2 Titanium dioxide 2 intefaces 2 molecular dynamics 2 Dinámica molecular 1 Dinámica vibracional 1 Dinâmica molecular 1 Dinâmica vibracional 1 Energia (Física) 1 Energia nuclear 1 Energy (Physics) 1 Energía (Física) 1 Energía nuclear 1 Estado excitado (Física) 1 Excited state (Physics) 1