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. 2016 Dec 16;21(12):1737. doi: 10.3390/molecules21121737

Figure 5.

Figure 5

The optimised structure of the electronic ground state of complexes (1)–(4) at the uB3LYP level of theory (6-31G(d) basis set for C, H atoms; 6-31G+(d,p) for O atoms; MWB28 for lanthanide atoms).