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The electronic and geometric structure, stability and molecular properties of the cationic van-der-Waals complex Ar2H+ in its ground electronic state are studied by means of two ab-initio quantum-chemical approaches: conventional configuration interaction (multi-reference and coupled cluster methods) and a diatomics-in-molecules model with ab-initio input data.
Shape-memory polymers
(2004)
Stereoselektive Synthese von asymmetrisch Benzyl-H-deuterierten Dibenzylbutyrolacton-Lignanzen
(2004)