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. 2020 Oct 6;5(41):26431–26440. doi: 10.1021/acsomega.0c02873

Figure 2.

Figure 2

Relative Gibbs free energies of the eight M(L)+ conformers in the gaseous phase and aqueous solution. At the x axis, the notations A, B, and s refer to SCPP and LCPP basis sets and aqueous solution, respectively. The conformers Δ(yyy)(yyy) are abbreviated by the yyy terms.