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Free energy
Dissociation
2
Molecular dynamics
2
Activation barriers
1
Activation energy
1
Aerosols
1
Aggregates
1
Biased sampling
1
Calculations
1
Car-Parrinello molecular dynamics simulations
1
Carbon nanotubes
1
Characteristic length
1
Charged particles
1
Classical nucleation theory
1
Classical thermodynamics
1
Cluster sizes
1
Computation theory
1
Critical size
1
DFT
1
Density functional theory
1
Dissociation constant
1
Entropic contributions
1
Equilibrium constants
1
First-principles calculation
1
Free energy surface
1
GPU
1
Hydronium ions
1
Hydrostatic pressure
1
Ion-water interactions
1
Ions
1
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