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CO/NaCl (100) has been referred to as a model system for physisorption in which the adsorbed molecules are bound to the substrate mainly by electrostatic interactions and the properties of the adsorbed phase remain close to those of the gas phase. In the present study we report ab initio Hartree-Fock self-consistent field (SCF) and correlated calculations for a cluster model of one CO on NaCl (100)...
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