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Ab initio methodology
2
Adsorption
2
Adsorption energies
Aqueous solutions
Calculations
2
Continuum solvation models
2
Density functional theory
2
First-principles calculation
2
Formates
2
Formic acid
2
Gasphase
2
Hydrogen Peroxide
2
Hydrogen peroxide
2
Methanol
Molecular adsorption
2
Monolayers
Oxide minerals
2
Particle Size
2
Periodic boundary conditions
2
Phase interfaces
2
Quantum Theory
2
Reaction kinetics
2
Solid-liquid boundary
2
Solid-liquid interfaces
2
Solutions
2
Surface Properties
2
Surface reactivity
2
TiO
2
Titania surfaces
2
Titanium
2
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2