Inorganic Chemistry, Vol.35, No.11, 3079-3080, 1996
Optimized Structures of Bimetallic Systems - A Comparison of Full-Symmetry and Broken-Symmetry Density-Functional Calculations
Keywords:VALENCE BOND THEORY;LOCAL-SPIN-DENSITY;X-ALPHA;ELECTRONIC-STRUCTURE;MAGNETIC-PROPERTIES;COMPLEXES;EXCHANGE;A3MO2CL9;A3MO2BR9;ENERGIES