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. Author manuscript; available in PMC: 2024 Feb 15.

Published in final edited form as: J Phys Chem B. 2022 Sep 27;126(39):7579–7594. doi: 10.1021/acs.jpcb.2c04237

Table 1:

Electrostatics and polarization parameters.

	Charge Penetration		Polarization
Atom	Z	$ζ_{e l e} (Å^{- 1})$	$α (Å^{3})$	k	q	$ζ_{expol} (Å^{- 1})$
O (water)	6.000	4.609	1.219	6.238	0.255	1.586
H (water)	1.000	4.637	0.143	9.273	0.001	5.685
Na⁺	4.090	5.346	0.157	5.738	12.965	9.151
K⁺	8.689	4.550	0.830	5.429	4.882	5.344
Cl⁻	9.937	3.404	5.482	2.211	1.129	1.178
Br⁻	12.129	3.223	7.268	2.354	1.128	1.114