Materias dentro de su búsqueda.
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Density functional theory
Methanol
4
Oxide minerals
Reaction kinetics
4
TiO
4
Titanium dioxide
4
Ab initio methodology
2
Activation barriers
2
Activation energy
2
Adsorption
2
Adsorption energies
2
Aqueous solutions
2
Calculations
2
Car-Parrinello molecular dynamics simulations
2
Continuum solvation models
2
Dissociation
2
Entropic contributions
2
First-principles calculation
2
Formates
2
Formic acid
2
Free energy
2
Gasphase
2
Hydrogen Peroxide
2
Hydrogen peroxide
2
Molecular adsorption
2
Molecular dynamics
2
Monolayers
2
Particle Size
2
Periodic boundary conditions
2
Phase interfaces
2
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