title: Stacking interactions of Ni(acac) chelates with benzene: calculated interaction energies.
abstract: Piling 'em up: The stacking energy of the [Ni(acac)2]/benzene system is calculated at local CCSD(T) level and is in good agreement with the values obtained with the SCS-MP2 method. Energies calculated with several DFT-D methods are somewhat overestimated. The calculated stacking energy of the [Ni(acac)2]/benzene system is significantly stronger than that of the benzene dimer.
authors.affiliation: Innovation Center of the Department of Chemistry, University of Belgrade, Studentskitrg 12-16, 11000 Belgrade, Serbia.
authors.forename: Dušan N
authors.initials: DN
authors.lastname: Sredojević
authors.forename: Dragan B
authors.initials: DB
authors.lastname: Ninković
authors.forename: Goran V
authors.initials: GV
authors.lastname: Janjić
authors.forename: Jia
authors.initials: J
authors.lastname: Zhou
authors.forename: Michael B
authors.initials: MB
authors.lastname: Hall
authors.forename: Snežana D
authors.initials: SD
authors.lastname: Zarić
mesh_terms: D001554:Benzene / Q000737:chemistry*; D002614:Chelating Agents / Q000737:chemistry; D008956:Models, Chemical; D009532:Nickel / Q000737:chemistry*; D011789:Quantum Theory; D013816:Thermodynamics
chemical_list: D002614:Chelating Agents; D009532:Nickel; D001554:Benzene