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3, and the multipole populations were necessarily restricted by this symmetry
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3, and the multipole populations were necessarily restricted by this symmetry.
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8 electron configuration provides the scattering factor with the best fit, the difficulties in determining the 4s population from charge density experiments are well-known (ref 17b). The very diffuse 4s density of the transition metal cannot easily be distinguished from diffuse density of the ligands.
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26844462557
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personal communication
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(b) Note that Figure 3a in this reference is incorrect due to a program error (Macchi, P., personal communication).
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123
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26844575026
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See for example ref 3o
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See for example ref 3o.
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26844492443
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note
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We note that Cioslowski et al. (ref 3m) report an even smaller Bader charge for the Ni atom of 0.295.
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128
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note
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We choose here to quote the unabridged moments, rather than the traceless ones given in ref 15, since these are more directly comparable - see ref 69.
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