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Validity of the Classical Monte Carlo Method To Model the Magnetic Properties of a Large Transition-Metal Cluster: Mn19
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2006 (English)In: Inorganic Chemistry, Vol. 45, no 6, 2391-2393 p.Article in journal (Refereed) Published
Abstract [en]

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.

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2006. Vol. 45, no 6, 2391-2393 p.
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Inorganic Chemistry
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URN: urn:nbn:se:uu:diva-79676DOI: doi:10.1021/ic051936hOAI: oai:DiVA.org:uu-79676DiVA: diva2:107589
Available from: 2006-04-11 Created: 2006-04-11 Last updated: 2011-01-11

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Westin, Gunnar

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