Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Periodic boundary conditions
5
Phase interfaces
Solid-liquid interfaces
Titanium dioxide
5
Density functional theory
4
Molecular dynamics
4
Molecular dynamics simulations
4
TiO
4
A-density
3
Acid-base equilibria
3
Atomic coordinate
3
Car-Parrinello molecular dynamics simulations
3
Car-Parrinello simulation
3
Computational costs
3
Constant of motion
3
Continuum mechanics
3
Continuum model
3
Continuum solvents
3
Dielectric functions
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 mechanism
3
-
1Artículo publishedVersion
-
2Artículo publishedVersion
-
3
-
4
-
5