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Semiempirical Quantum Mechanics
MNDO/d
MNDO/d is a new semiempirical method developed by Professor Walter Thiel at the Max Planck Institute. It extends the AM1/PM3/MNDO formalism to d-orbitals. The method has been parameterized for several heavy main-group elements and work is underway on transition metals. Original MNDO parameters are used for lighter elements and the MNDO/d model is used for heavier elements.
