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Molecular dynamics
Hydrogen bonds
2
Acetone
1
Acetone molecules
1
Aggregates
1
Ammonia
1
Charge transfer
1
Charge transfer to solvent (CTTS)
1
Classical molecular dynamics
1
Classical potentials
1
Concentration dependence
1
Dipole moment
1
Dynamical characteristics
1
Electron detachment energies
1
Empirical force fields
1
Generalized gradient approximation level
1
Hydrogen bond acceptors
1
Iodine
1
Isomerization
1
Isomers
1
Melting
1
Minimum-energy structures
1
Molar fractions
1
Molecular dynamics trajectory
1
Molecules
1
Phase transitions
1
Photon absorption
1
Photons
1
Potassium
1
Pre-melting transition
1
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1
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2Materias: “...Transition regions...”
Artículo publishedVersion -
3Materias: “...Phase transitions...”
Artículo publishedVersion