Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.306, 209-218, 1997
Electron Delocalization and Magnetic-Interactions in Magnetic Molecular-Systems - Theory and Applications
Using the general computational approach based on the angular momentum theory we discuss here the magnetic properties of large magnetic clusters (polyoxometalates) and mixed-valence chains (diphtalocyanine-based materials). The interplay between electron delocalization, magnetic exchange and Coulomb interaction is examined in detail.
Keywords:MIXED-VALENCE CLUSTERS;SPIN-STATE ENERGIES;DOUBLE EXCHANGE;RESONANCE DELOCALIZATION;HYPERFINE PROPERTIES;(FE4SE4)+ CLUSTERS;REDUCED (FE4S4)+;HEISENBERG-TYPE;EPR