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Dynamics
Molecular dynamics
Molecular dynamics simulations
2
Solvents
A-density
1
Acid-base equilibria
1
Amides
1
Atomic coordinate
1
Average numbers
1
Car-Parrinello molecular dynamics simulations
1
Car-Parrinello simulation
1
Characteristic times
1
Colloids
1
Computational costs
1
Constant of motion
1
Continuum mechanics
1
Continuum model
1
Continuum solvents
1
Density functional theory
1
Dielectric functions
1
Dielectric medium
1
Dipole orientations
1
Dynamical properties
1
Electronic density
1
Electronic structure
1
Electronic structure calculations
1
Equimolar mixtures
1
Experimental research
1
First-principles
1
Head groups
1
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