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The water network in the immediate neighborhood of a double hydrogen bond in an aqueous solution is investigated using the full polarizable continuum model (PCM) for aqueous solutions and the molecular dipole dynamics (MD) method, which explicitly includes the solvent. The effects of single and double hydrogen bonds on the self-association thermodynamics of several solute structures (phenol, aniline, and furan) are quantified by means of the double hydrogen bond energy of the surrounding water network, which is calculated from the single and double hydrogen bonding interactions of the solutes and the accompanying structural changes of water. The MD results with a re-optimization of the O-H and N-H distances and the π-electron delocalization of the solute upon double hydrogen bonding are supported by gas phase equilibrium data and free energy differences determined using the PCM method. The calculated double hydrogen bond energies agree well with the available free energy differences of the related processes (association of phenol and aniline) upon hydrogen bonding. It is shown that the change in the water structure upon formation of double hydrogen bonds is a common feature in the course of self-association in aqueous solution.It’s the Battle of the Heineken Cup for this season. For the final time, the Heineken Cup is decided on the final day of the regular season when the final pool games are played. All 32 pool matches count toward the final standings with the top eight earning the Heineken Cup title. This week, two of the biggest teams in Europe meet in France for the most dramatic encounter of the season.
Toulouse and Sale are the two teams that emerged from the pool phase of this season with a relatively comfortable 13 point lead. In fact, only Nottingham have a better point gap. The first week of this season was a struggle for Toulouse who have won just five of their eight pool games, while Sale have struggled with a record of four wins, two losses
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