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0242632881
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note
-
2 were calculated by the DV-Xα method, assuming that both Mn-O bonds are equivalent and the Mn ion is coplanar with the four CN groups. The absolute values of the energy levels (E and E′) were not given, i.e., Mn and W in Schemes 2 and 3 do not have the same energy level coordinate.
-
-
-
-
42
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0242464564
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note
-
y′) can have the largest overlap in this direction.
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43
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0003674554
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