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Molecular dynamics
Time correlation functions
Acetonitrile
2
Adsorption
2
Aprotic solvents
2
Atomic trajectories
2
Carbon Monoxide
2
Carbon nanotubes
2
Carbon tube
2
Characteristic bands
2
Characteristic time
2
Concentration fluctuation
2
Confined liquids
2
Cylindrical cavities
2
Degree of reduction
2
Different solvents
2
Dispersive forces
2
Equimolar mixtures
2
First-principles molecular dynamics
2
Harmonic approximation
2
Hydrophobic cavities
2
Hydrophobicity
2
Inner cavities
2
Mixtures
2
Molecular Dynamics Simulation
2
Nano-cavities
2
Nanopores
2
OH group
2
Organic solvents
2
Oxide minerals
2
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