Research Article
Basis Set Effects in the Description of the Cl-O Bond in ClO and XClO/ClOX Isomers (X = H, O, and Cl) Using DFT and CCSD(T) Methods
Figure 5
Enthalpies of formation of HOCl (in kcal/mol) obtained at the CCSD(T) level using different basis sets and reactions (
3)–(
6).