DFT Description of the Magnetic Structure of Polynuclear Transition-Metal Clusters: The Complexes [{Cu(bpca)2(H2O) 2}{Cu(NO3) 2}2], (bpca = Bis(2-pyridylcarbonyl)amine), and [Cu(DBSQ)(C2H?5O)]2, (DBSQ =3, 5-di-tert-butyl-semiquinonato
Revised: January 23, 2012 | Published: February 20, 2005