Adsorption 2 Atomic trajectories 2 Carbon Monoxide 2 Characteristic bands 2 Degree of reduction 2 First-principles molecular dynamics 2 Harmonic approximation 2 Molecular Dynamics Simulation 2 Molecular dynamics 2 Oxide minerals 2 Spectrophotometry, Infrared 2 Surface Properties 2 Surfaces 2 Time correlation functions 2 Titanium 2 Titanium dioxide 2 Titanium dioxide surfaces 2 Vacancies 2 Vacancy concentration 2 article 2 carbon monoxide 2 chemistry 2 infrared spectrophotometry 2 molecular dynamics 2 surface property 2 titanium 2 titanium dioxide 2