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2C. de Graaf*, I. de P. R. Moreira and F. IllasDept. de Quimica Fisica i Centre Especial de Recerca en Quimica Teorica, Universitat de Barcelona,C/ Marti i Franques 1, 08028 Barcelona, SpainTel.: +34-934029021, Fax: +34-934021231, E-mail: c.degraaf@qf.ub.es, f.illas@qf.ub.esReceived: 5 July 2000 / Accepted: 21 August 2000 / Published: 23 August 2000Abstract: State-of-the-art molecular quantum chemical techniques have been applied to thesolid-state compound Li

Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2