Dr. Dušan N. Sredojević, Dragan B. Ninković, Dr. Goran V. Janjić, Dr. Jia Zhou, Prof. Michael B. Hall and Prof. Snežana D. Zarić Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies ChemPhysChem 14
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.
Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf