Unexpected favourable noncovalent interaction between chlorine oxyanions (ClOx−; x  = 1–4) and benzene: Benchmarking DFT and SAPT methods with respect to CCSD(T)

Publication date: May 2021Source: Computational and Theoretical Chemistry, Volume 1199Author(s): Sara M. Elgengehi, Sabry El-Taher, Mahmoud A.A. Ibrahim, Khaled E. El-Kelany

Source: Computational and Theoretical Chemistry - April 9, 2021 Category: Chemistry Source Type: research