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 on the structure and frontier orbital energies were calculated using the polarizable continuum ...

1,3-butadiene, bd is produced from c4-cut by extractive distillation. the separation of 1,3-butadiene from c4-cut is not possible through the conventional distillation processes, because several mixtures have consisted of close boiling points constituents and make azeotrope. the basf extraction distillation process in bd unit of jam and amirkabir petrochemical company improves the relative vola...