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note
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These assignments were made based on the major contributing excitation. The singlet excited-states had contributions from several excitations. For those presented with solid bars there was a major contributing excitation (with a transition coefficient for the major excitation being higher than the transition coefficient of the other excitations by more than 0.2). For some singlet excited-states, however, there was more than one contributing excitation with high transition coefficient. Singlet excited-states that contained contributions from several excitations with transition coefficients that were within 0.2 of the major excitation transition coefficient are assigned as mixed singlet excited-states and are presented with dotted vertical bars.
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66
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0347594056
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-1 as outlined in C. Makedonas, C. A. Mitsopoulou, F. J. Lahoz and A. I. Balana, Inorg. Chem., 2003, 42, 8853-8865.
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(2003)
Inorg. Chem.
, vol.42
, pp. 8853-8865
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Makedonas, C.1
Mitsopoulou, C.A.2
Lahoz, F.J.3
Balana, A.I.4
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