Materias dentro de su búsqueda.
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Density functional theory
2
Methanol
Oxide minerals
2
Reaction kinetics
TiO
2
Titanium dioxide
2
Ab initio methodology
1
Activation barriers
1
Activation energy
1
Adsorption
1
Adsorption energies
1
Aqueous solutions
1
Calculations
1
Car-Parrinello molecular dynamics simulations
1
Continuum solvation models
1
Dissociation
1
Entropic contributions
1
First-principles calculation
1
Formates
1
Formic acid
1
Free energy
1
Gasphase
1
Hydrogen Peroxide
1
Hydrogen peroxide
1
Molecular adsorption
1
Molecular dynamics
1
Monolayers
1
Particle Size
1
Periodic boundary conditions
1
Phase interfaces
1
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1
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2