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