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.
The interactions that were found to be significantly different in the ground state (left) and the transition state (right) for the large and small QM subsystems. The numbers in black are the heavy atom distances from the large QM simulations, and the red numbers are the heavy atom distances from the small QM simulations.
