Materias dentro de su búsqueda.
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A-density
1
Acid-base equilibria
1
Atomic coordinate
1
Car-Parrinello molecular dynamics simulations
Car-Parrinello simulation
Computational costs
Constant of motion
1
Continuum mechanics
1
Continuum model
1
Continuum solvents
1
Density functional theory
1
Dielectric functions
1
Dielectric medium
1
Dynamics
1
Electronic density
1
Electronic structure
Electronic structure calculations
1
Experimental research
1
First-principles
1
Interfacial region
1
Kohn-Sham potential
1
Liquids
1
Molecular dynamics
1
Molecular dynamics simulations
1
Molecular mechanism
1
Multigrid methods
1
Periodic boundary conditions
1
Phase interfaces
1
Plane-wave basis set
1
Poisson equation
1
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1