Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Titanium dioxide
6
Density functional theory
5
Molecular dynamics
5
TiO
5
Car-Parrinello molecular dynamics simulations
4
Dielectric functions
4
Periodic boundary conditions
4
Phase interfaces
4
Solid-liquid interfaces
4
A-density
3
Acid-base equilibria
3
Atomic coordinate
3
Car-Parrinello simulation
3
Computational costs
3
Constant of motion
3
Continuum mechanics
3
Continuum model
3
Continuum solvents
3
Dielectric medium
3
Dynamics
3
Electronic density
3
Electronic structure
3
Electronic structure calculations
3
Experimental research
3
First-principles
3
Interfacial region
3
Kohn-Sham potential
3
Liquids
3
Molecular dynamics simulations
3
Molecular mechanism
3
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