Nature of Hydrogen Bond in Water

Abstract

The work is devoted to the investigation of physical nature of H-bond. The H-bond potential ${\Phi }_H(r,\Omega )$ is studied as an irreducible part of the interaction energy of water molecules. It is defined as a difference between generalized Stillinger-David potential and the sum of dispersive and multipole interaction potentials. Relative contribution of ${\Phi }_H(r,\Omega )$ to intermolecular potential does not exceed (10\div15)%.