Abstract

Using no adjustable parameters but only known data on ice and on water dimers in the gas phase, it has been possible for the first time to construct a model involving isomerization between clusters which reproduces (±2%) the anomalous heat capacity of liquid water from 0 to 100 o C. The clusters are a polycyclic, cubic-shaped octamer which can dissociate into two cyclic tetramers. These clusters are held together by H bonds and though very labile appear to be the principal species present in liquid water. Polycyclic decamers and monocyclic pentamers may also existand play a similar role

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