d-Electron stabilisation energies provide a general framework for extending conventional Molecular Mechanics to open-shell complexes; a single set of Force Field parameters successfully models both planar CuN4 and Jahn–Teller distorted, tetragonally elongated CuN6 amine complexes.
V. J. Burton and R. J. Deeth, J. Chem. Soc., Chem. Commun., 1995, 573 DOI: 10.1039/C39950000573
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