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Aggregates
4
Classical molecular dynamics
4
Classical potentials
4
Dipole moment
Empirical force fields
4
Generalized gradient approximation level
4
Hydrogen bonds
4
Isomerization
4
Isomers
4
Melting
4
Minimum-energy structures
4
Molecular dynamics
Pre-melting transition
4
Static polarizabilities
4
Thermal fluctuations
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2
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4