Hydrogen bonding mediated by key orbital interactions determines hydration enthalpy differences of phosphate water clusters.

Abstract

Electronic structure calculations have been carried out to provide a molecular interpretation for dihydrogen phosphate stability in water relative to that of metaphosphate. Specifically, hydration enthalpies of biologically important metaphosphate and dihydrogen phosphate with one to three waters have been computed with second-order Møller-Plesset… (More)

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