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 second data set of titratable molecules involves 76 molecules in 5 different molecular families displayed in the protonated state. The detailed data are listed in Tables S8–S12 of the Supporting Information. The number of molecules of a specific family is given before the family name. Titratable hydrogens carry the formal charge zero for all five families and are shown in green. Oxygen, nitrogen, and sulfur atoms are highlighted in red, blue, and yellow, respectively.
