Materias dentro de su búsqueda.
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Phase interfaces
4
Molecular dynamics
3
Molecular dynamics simulations
3
Periodic boundary conditions
3
Solid-liquid interfaces
3
Titanium dioxide
3
Adsorption
2
Adsorption energies
2
Density functional theory
2
TiO
2
A-density
1
Ab initio methodology
1
Acid-base equilibria
1
Aqueous environment
1
Aqueous solutions
1
Atomic coordinate
1
Calculations
1
Car-Parrinello molecular dynamics simulations
1
Car-Parrinello simulation
1
Coarse grained models
1
Computational costs
1
Computer simulation
1
Condensed matter physics
1
Condensed matter system
1
Condensed phase
1
Constant of motion
1
Continuum mechanics
1
Continuum model
1
Continuum solvation models
1
Continuum solvents
1
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