Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies Academic Article uri icon

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.

altmetric score

  • 0.5

author list (cited authors)

  • Sredojević, D. N., Ninković, D. B., Janjić, G. V., Zhou, J., Hall, M. B., & Zarić, S. D.

citation count

  • 12

publication date

  • April 2013

publisher