Stacking interactions of Ni(acac) chelates with benzene: calculated interaction energies. 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.

published proceedings

  • Chemphyschem

altmetric score

  • 0.5

author list (cited authors)

  • Sredojevi, D. N., Ninkovi, D. B., Janji, G. V., Zhou, J., Hall, M. B., & Zari, S. D.

citation count

  • 14

complete list of authors

  • Sredojević, Dušan N||Ninković, Dragan B||Janjić, Goran V||Zhou, Jia||Hall, Michael B||Zarić, Snežana D

publication date

  • June 2013

publisher