Theoretical Description of Hydrogen Bonding

A theoretical description of hydrogen bonding effects can be made from model of charge-controlled adsorption. It was found that the energy of adsorption of organic molecules ai e determined by the ratios between the effective chai ges of their atoms and atoms in polai solvent molecules ... 

Tapia, O., Andres, J., Moliner, V. and Stamato, F. L. M. G. (1997) Theory of solvent effects and the description of chemical reactions. Proton and hydride transfer processes, in Hadzi, D. (edr), Theoretical treatments of hydrogen bonding, John Wiley and Sons, New York, pp. 143-164,... 

It has recently been pointed out by R0nne et al. [344] that the structure and dynamics of liquid water constitute a central theme in contemporary natural science [345-353]. Modem theoretical considerations are aimed at (a) a detailed description of an electronic structure model of hydrogen bonding, applied to water molecules (see, e.g., Ref. 354), (b) models that involve a certain critical temperature where the thermodynamic response functions of water diverge (see, e.g., Ref. 353), and (c) models that presuppose a coexistence between two liquid phases [344] a low-density liquid phase at the low-pressure side and a high-density liquid phase at the high-pressure side (see also Refs. 355-357). 

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