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Aggregates
2
Classical molecular dynamics
2
Classical potentials
2
Dipole moment
2
Empirical force fields
2
Generalized gradient approximation level
2
Hydrogen bonds
2
Isomerization
2
Isomers
Melting
2
Minimum-energy structures
2
Molecular dynamics
2
Pre-melting transition
2
Static polarizabilities
2
Thermal fluctuations
2
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2