Natural Bond Orbital (NBO) Population Analysis of Iridabenzene (C5H5Ir)(PH3)3

Subject Areas : Polymer

R.  Ghiasi ¹ ()
E.  Ebrahimi Mokaram ² ()

Received: 2015-11-17 Accepted : 2015-11-17 Published : 2012-01-01

Keywords: Density functional theory (DFT), Metallabenzenes, Iridabenzene, Natural bond orbital (NBO),