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The potential energy function of the Rb + –benzene cluster and of some of its Ar solvated variants is here modeled using a combination (pairwise sum) of ion(atom)–molecular bond and ion–molecular charges interaction contributions which provide, respectively, the non electrostatic and the electrostatic terms of the total non covalent intermolecular potential energy. In particular, such interaction...
A dynamical study of the (benzene) 2 –K + heteroclusters solvated by Ar atoms has been performed using an analytical force field of the atom (ion)-bond type. An analysis of the relevant calculated structural and energetic properties of these systems is made to understand involved molecular processes. The key effect found in the calculations is the tieing up of the two rings to sandwich...
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