화학공학소재연구정보센터
Inorganic Chemistry, Vol.45, No.6, 2391-2393, 2006
Validity of the classical Monte Carlo method to model the magnetic properties of a large transition-metal cluster: Mn-19
The susceptibility of the large transition-metal cluster [Mn19O12-(MOE) (14)(MOEH)(10)]center dot 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.