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Project: Ab initio study of the complexes between earth-alkaline metal ions and C2 and C3 bidentate ligands and macrocycles.

01-OCT-93 – 31-DEC-99

A quantummechanical study is performed on the complexation between metal ions and open chain ligands and macrocycles. Interest goes to-wards the selectivity of the complexation and the geometry of the formed complexes.