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2> is a good quantum number for the ROHF wavefunction, it is not for the UHF formalism; so the latter formalism must be used with caution
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•−; hence these mean‐field scaling models must be used with caution.
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Since as described earlier J ∝ 1/ΔE AB′ij and since instead of the POMOs being involved in the charge‐transfer excitation, the excitation involves the NHOMO and/or NLUMO; thus, the ΔE will be greater and J will be smaller.
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2) a range of x and y is observed for preparations in different solvents and with different mole ratios of the starting materials; benzene in small amounts is present in some cases. For the material discussed herein x ≈ 2; Y ≈ 1/2. Trace elements were determined by ICP: (Fe 41 ppm), Co [none detected (<25 ppm)], Ni [none detected (50 ppm)], (Cr 34 ppm).
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