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. Author manuscript; available in PMC: 2021 Apr 14.
Published in final edited form as: J Chem Theory Comput. 2020 Mar 6;16(4):2635–2646. doi: 10.1021/acs.jctc.9b01016

Figure 3:

Figure 3:

Sigma values for ethanol (single profile, with averaging scheme of Mullins) Top: Values of averaged charge densities on segments (randomly jittered in the vertical direction). Vertical lines correspond to the nodes at which the sigma profile will be generated. Bottom: Sigma profile generated from these σ values.