‚Ä¶and complex nature, the PCM model with RB3LYP or RHF method has been used to simplify the optimization of some compounds in the GAUSSIAN 98 program (Becke, 1992a, 1992b, 1993, 1996; Foresman & Frisch, 1996; Frisch & Foresman, 1998; Hehre et al., 1986; Larid, Ross, & Ziegler, 1996; Miertus &‚Ä¶