Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Car-Parrinello molecular dynamics simulations
Density functional theory
5
Molecular dynamics
5
TiO
5
Titanium dioxide
5
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 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 dynamics simulations
3
Molecular mechanism
3
Multigrid methods
3
Periodic boundary conditions
3
Phase interfaces
3
-
1por Sánchez, Verónica MurielMaterias: “...Car-Parrinello molecular dynamics simulations...”
Publicado 2010
-
2Materias: “...Car-Parrinello molecular dynamics simulations...”
JOUR -
3Materias: “...Car-Parrinello molecular dynamics simulations...”
-
4Materias: “...Car-Parrinello molecular dynamics simulations...”
Artículo publishedVersion -
5Materias: “...Car-Parrinello molecular dynamics simulations...”
JOUR