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.
Left: The most general configuration for a three point charge water model consistent with C2v symmetry of the water molecule. The single Lennard-Jones interaction is centered on the origin (oxygen). Right: The final, optimized geometry of the proposed 3-charge, 4-point OPC water model.
