dimer - 2 димер 2 PACS 82.30.Rs 1 aggregate structure 1 aggregation of molecules 1 aromatic ring 1 electrostatic models of water molecule 1 energy contributions 1 ethylene glycol 1 frequency shift 1 hydrogen bond 1 hydrogen bonding 1 hydrogen valence vibrations 1 intermolecular interaction 1 intramolecular interaction 1 lexitropsins 1 molecular isomerization 1 monomer 1 n-propanol 1 non-empirical calculations 1 peptide group 1 quantum chemistry 1 spectral manifestation 1 ароматическое кольцо 1 валентнi коливання гiдрогенiв 1 електростатична модель молекули води 1 зсув частот 1 лекситропсины 1 пептидная группа 1