Fig. 6. T1 state spin density of [UO2(NO3)2(H2O)2] UNO3, [UO2Cl2(MeCN)3] UCl, [UO2Cl2(Ph2phen)(MeCN)] 1-Cl, and [UO2Cl2(Ph2phen)2] 2 complexes calculated at the scalar-ZORA PBE0/TZP level of theory.
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