Unexpected Favourable Noncovalent Interaction between Chlorine Oxyanions (ClOx‾ ; x = 1–4) and Benzene moiety: Benchmarking DFT and SAPT Methods with respect to CCSD(T)

Publication date: Available online 16 March 2021Source: Computational and Theoretical ChemistryAuthor(s): Sara M. Elgengehi, Sabry El-Taher, Mahmoud A.A. Ibrahim, Khaled E. El-Kelany

Source: Computational and Theoretical Chemistry - March 16, 2021 Category: Chemistry Source Type: research