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Inorg Chem. 2006 Mar 20;45(6):2391-3.

Validity of the classical monte carlo method to model the magnetic properties of a large transition-metal cluster: Mn19.

Author information

1
Department of Chemistry and UdR INSTM, University of Florence, 50019 Sesto Fiorentino, Italy.

Abstract

The susceptibility of the large transition-metal cluster [Mn19O12(MOE)14(MOEH)10].MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels.

PMID:
16529454
DOI:
10.1021/ic051936h

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