Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
(a) Comparison between condensed phase (ε = 4) and vacuum dipole moments of 41 small molecules (red crosses). Dashed lines indicate the dipole moments of molecules computed using the implicit solvent model with ε = 80 and ε = 1. (b) Comparison between point-charge and QM dipole moments of the same database, after the addition of extra point sites to 12 molecules.
