Figure 7.
A description of a larger model for the QM region (MDP with Mg2+ and 16 QM water molecule) used to study the hydrolysis reaction. Here the P-O bond is already broken and the system is at the basin prior to the final proton transfer.
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.