Skip to main content
. Author manuscript; available in PMC: 2010 Nov 8.
Published in final edited form as: J Chem Theory Comput. 2007 Jan 1;3(1):156–169. doi: 10.1021/ct600085e

Figure 1.

Figure 1

The neck region (shaded) is defined by the radius of atom 1, R1, the radius of atom 2, R2, the distance that separates them, d, and the radius of the solvent molecule, Rw. The coordinate system used for performing integration is also illustrated (see Appendix I).