Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes

Eliseo Ruiz, Joan Cano, Santiago Alvarez, Pere Alemany. Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes. Journal of Computational Chemistry, 20(13):1391-1400, 1999. [doi]

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