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Aggregates
3
Classical molecular dynamics
3
Classical potentials
3
Dipole moment
3
Empirical force fields
3
Generalized gradient approximation level
3
Hydrogen bonds
3
Isomerization
3
Isomers
3
Melting
3
Minimum-energy structures
3
Molecular dynamics
3
Pre-melting transition
3
Static polarizabilities
3
Thermal fluctuations
3
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