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. 2020 Sep 22;5(39):25087–25094. doi: 10.1021/acsomega.0c02638

Figure 1.

Figure 1

Overall geometry of classical n-point fixed charge water models. (a) A three-point model, mimicking an H-O-H structure; (b) a four-point model, offsetting oxygen charge on the 4th point; (c) a five-point model, with two extra charges emulating lone pairs.