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RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium

Table 8

Unsigned mean errors, UME(Gd-L)s and UMEs, for RM1 model for lanthanides, as compared to the respective experimental crystallographic values, obtained from the Cambridge Structural Database, for each of the 57 cerium(III) complexes.

Table 8

doi: https://doi.org/10.1371/journal.pone.0124372.t008