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Density functional theory
Phase interfaces
2
A-density
1
Ab initio
1
Acid-base equilibria
1
Adsorption
1
Alkali metals
1
Atomic coordinate
1
Capillary condensation
1
Car-Parrinello molecular dynamics simulations
1
Car-Parrinello simulation
1
Coexistence curve
1
Computational costs
1
Constant of motion
1
Continuum mechanics
1
Continuum model
1
Continuum solvents
1
Critical temperatures
1
Density profile
1
Dielectric functions
1
Dielectric medium
1
Dynamics
1
Electronic density
1
Electronic structure
1
Electronic structure calculations
1
Experimental data
1
Experimental research
1
First-principles
1
Fluid atoms
1
Interfacial region
1
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1Materias: “...Experimental data...”
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2Materias: “...Experimental research...”
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