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.
Generalized thermodynamic cycle covering both quantum chemical (QC) and force-field based (FF) calculations for determining the free energy difference between two tautomers A and B in solution (sol) and the gas phase (vac). See text for the meaning of reaction numbering.
