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. 2021 Jul 23;1(8):1116–1140. doi: 10.1021/jacsau.1c00252

Figure 8.

Figure 8

Description of the [Re(CO)3(phen)(im)]+ complex in different environments (phen = phenanthroline, im = imidazole): (a) in gas phase; (b) in QM/MM aqueous solution surrounded by 1054 water molecules; (c) in implicit aqueous solution. Little spheres represent point charges on the cavity surrounding the complex. Figure adapted from ref (205) under a Creative Commons Attribution 3.0 Unported License. Copyright 2017 PCCP Owner Societies.