Table 1. Atomic Site Charges q (e) of Sulfolane Derived from Quantum Calculations of Bulk Liquid and Used in the Simulations Reported Here^a.

atom type	ref (2)	OPLS	This work
SFO	1.56000	1.22980	1.067020
OFO	–0.78000	–0.57030	–0.562630
CS1	–0.12000	–0.46675	–0.324400
CS2	–0.12000	–0.16105	–0.135542
HC1	0.06000	0.16740	0.142387
HC2	0.06000	0.12420	0.102144

^aCharges from ref (2) and of the OPLS force field²⁶⁻²⁸ are provided for the sake of completeness.