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Electronic structure
A-density
2
Acid-base equilibria
2
Anisotropic relaxation time
2
Approximation theory
2
Atomic coordinate
2
Car-Parrinello molecular dynamics simulations
2
Car-Parrinello simulation
2
Cobalt
2
Computational costs
2
Constant of motion
2
Continuum mechanics
2
Continuum model
2
Continuum solvents
2
Density functional theory
2
Dielectric functions
2
Dielectric medium
2
Dynamics
2
Electron transport properties
2
Electronic density
2
Electronic structure calculations
2
Experimental research
2
First-principles
2
Granular alloys
2
Granular materials
2
Hartree-Fock approximation
2
Interfacial region
2
Kohn-Sham potential
2
Liquids
2
Molecular dynamics
2
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