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Abstract
A SCF molecular orbital study using the non-empirical pseudopotential model is reported for the palladium-ethylene interaction. This organometallic system is found to be weakly bound, while the molecular orbital energy levels of the olefin and Pd atom are only slightly perturbed. The ethylene's C-C distance is relaxed and its planar structure is almost undistorted. A comparison with experimental results for the Pd-C2H4 system, as well as with other theoretical studies on similar systems, is presented.