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 fully optimized geometries of (a) 1-Me-dG•+, (b) 1-Me-dG(N2-H)•syn, and (c) 1-Me dG(N2-H)•anti in the presence of seven water molecules. The optimization was carried out with the aid of DFT/B3LYP/6-31G(d) method. The relative stabilities of 1-Me-dG(N2-H)•syn and 1-Me-dG(N2-H)•anti in kcal/mol are provided in parentheses.
