Hydrogen bond energetic definition

Hydrogen-Bond Energetic Definition The hydrogen bond is intact if the energy V is less than a threshold value HB> otherwise the bond is broken. TTie probability p V) that the interaction energy between two water molecules is F, as obtained from computer simulation, is shown at various temperatures in Fig. 1. The hydrogen bond is related to the presence of a maximum in the attractive part of the interaction. 

The most inclnsive definition of hydration shell describes it as consisting of all thermodynamically altered water molecnles in the vicinity of a solnte. From a thermodynamic standpoint, hydration can be viewed as binding of water molecnles to the hydration sites of a solnte. The energetics of this association is modulated by the type of solute-solvent interactions (electrostatic, hydrogen bonding, van der Waals) and by solnte-indnced solvent reorganization. The latter occnrs even in the absence of appreciable solute-solvent interactions becanse the eqnUib-rium distribution of hydrogen-bonded water networks of the bulk becomes disrupted at the solute surface. 

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