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Adsorption
4
Oxide minerals
Surface Properties
4
Titanium
4
Titanium dioxide
4
article
4
chemistry
surface property
titanium
4
titanium dioxide
4
Ab initio methodology
2
Adsorption energies
2
Aqueous solutions
2
Atomic trajectories
2
Calculations
2
Carbon Monoxide
2
Characteristic bands
2
Continuum solvation models
2
Degree of reduction
2
Density functional theory
2
First-principles calculation
2
First-principles molecular dynamics
2
Formates
2
Formic acid
2
Gasphase
2
Harmonic approximation
2
Hydrogen Peroxide
2
Hydrogen peroxide
2
Methanol
2
Molecular Dynamics Simulation
2
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