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Природа водневого зв’язку у воді

The work is devoted to the investigation of the physical nature of H-bonds. The H-bond potential ΦH (r, Ω ) is studied as an irreducible part of the interaction energy of water molecules. It is defined as a difference between the generalized Stillinger–David potential and the sum of dispersive and m...

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Bibliographic Details
Main Authors: Makhlaichuk, P.V., Malomuzh, M.P., Zhyganiuk, I.V.
Format: Article
Language:English
Published: Publishing house "Academperiodika" 2012
Subjects:
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Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021317
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Summary:The work is devoted to the investigation of the physical nature of H-bonds. The H-bond potential ΦH (r, Ω ) is studied as an irreducible part of the interaction energy of water molecules. It is defined as a difference between the generalized Stillinger–David potential and the sum of dispersive and multipole interactionpotentials. The relative contribution of ΦH (r, Ω ) to the intermolecular potential does not exceed (10–15)%.