A B3LYP and MP2 theoretical investigation on the cooperativity effect between the XHâ¯HM (X = F, Cl, Br; M = Li, Na, K) dihydrogen-bonding and HMâ¯Ï interactions involving C6H6
Keywords: Cooperativity effect; Dihydrogen bond; HMâ¯Ï interaction; Surface electrostatic potential; MP2(full);