Figure A2.
QM/MM vs. QM Correlations between hydrogen bond: binding energy (top); distance (middle); and angle (bottom). The dashed black lines represent the pure QM reference values.
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.