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Conceptual discussion reveals challenges in molecular orbital theory related to ligand fields, suggesting complexities in ligand field theory.
Ligand field theory (LFT) is generally formulated either as an application of the linear combination of atomic orbitals (LCAO) molecular orbital (MO) model (LFT-MO) or freely-parameterised crystal field theory with...
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Robert J. Deeth (2025) studied this question.
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