. Author manuscript; available in PMC: 2020 May 1.

Published in final edited form as: J Chem Theory Comput. 2019 Sep 30;15(11):6190–6202. doi: 10.1021/acs.jctc.9b00602

Table 2.

Extrapolated and analytical PB energies (kcal/mol) for the analytical sphere models. Extrapolated values are from Figure 2. Analytical PB energies were calculated using Mathematica 7.0.

Methods	HA	2^nd order HA	χ factor HA	IIM	Analytical
Monopole	−151.6	−151.3	−151.2	−151.3	−151.3
Dipole	−55.74	−55.74	−55.69	−55.73	−55.73
Quadrupole	−35.35	−35.31	−35.32	−35.32	−35.31
Octupole	−89.91	−89.91	−89.84	−89.87	−89.91