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Chemical Reviews, Vol.94, No.7, 2095-2160, 1994
Theoretical-Study of Van-der-Waals Complexes at Surface Sites in Comparison with the Experiment
Keywords:PERIODIC HARTREE-FOCK;MOLECULAR-ORBITAL CALCULATIONS;NUCLEAR-MAGNETIC-RESONANCE;DENSITY-FUNCTIONAL THEORY;QUANTUM-CHEMICAL CALCULATIONS;NEUTRON INELASTIC-SCATTERING;PERTURBED-CLUSTER TREATMENT;LOW-TEMPERATURE ADSORPTION;ADSORBED CARBON-MONOXIDE;POTENTIAL-ENERGY SURFACE