fig1

Cosolvent-involved hybrid solvation models for aqueous Zn-ion electrolytes: a case study of ethylene glycol-H<sub>2</sub>O-ZnSO<sub>4</sub> system

Figure 1. Individual atomic partial charges of SO42-, water, and EG. The partial charges of SO42- and EG are calculated from the RESP method[20], and the partial charges of H2O are obtained from GROMACS Amber03 force field SPC/E water model parameters. EG: Ethylene glycol; RESP: restrained electrostatic potential.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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