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Molecular dynamics
Hydrogen bonds
4
Acetone
2
Acetone molecules
2
Aggregates
2
Ammonia
2
Charge transfer
2
Charge transfer to solvent (CTTS)
2
Classical molecular dynamics
2
Classical potentials
2
Concentration dependence
2
Dipole moment
2
Dynamical characteristics
2
Electron detachment energies
2
Empirical force fields
2
Generalized gradient approximation level
2
Hydrogen bond acceptors
2
Iodine
2
Isomerization
2
Isomers
2
Melting
2
Minimum-energy structures
2
Molar fractions
2
Molecular dynamics trajectory
2
Molecules
2
Phase transitions
2
Photon absorption
2
Photons
2
Potassium
2
Pre-melting transition
2
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1
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2
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3Materias: “...Transition regions...”
Artículo publishedVersion -
4Materias: “...Transition regions...”
Artículo publishedVersion -
5Materias: “...Phase transitions...”
Artículo publishedVersion -
6Materias: “...Phase transitions...”
Artículo publishedVersion