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. 2020 Jan 9;5(2):1277–1286. doi: 10.1021/acsomega.9b03967

Figure 2.

Figure 2

Geometries of the intermediate states, complexes, reactants, and products optimized at the B3LYP/6-311++G(3df,2p) level (bond lengths are in angstrom and bond angles are in degrees).