Inorganic chemistry
Theoretical insights of magnetizability and solvent effect on the electronic properties of CoB8- molecule

Reza Ghiasi; Amir Hossein Hakimiounb

Volume 5, Issue 1, pp. 1-120, Serial No. 14 , January 2017, , Pages 67-78

Abstract
  Equilibrium geometry, electronic structures, and vibrational modes of CoB8- were investigated in the PBEPBE/6-311+G(d,p) level of theory. The nucleus independent chemical shift (NICS) analysis and magnetizability values were used for studying of aromaticity in CoB8-. The effects of different solvents ...  Read More

Theoretical insights of magnetizability and solvent effect on the electronic properties of CoB8- molecule