In this paper, we adopted a newly developed VL for all calculations. In this virtual ligand, a substituent is replaced with a Cl atom having some penalty functions (denoted as Cl*). For example, as previously reported, 9 a monodentate phosphorus(III) ligand PR3 can be approximated using PCl*3 moiety. In addition, the new method is applicable for multidentate phosphorus(III) ligands. For example, as described later, 1,2-bis(diphenylphosphino)ethane (dppe) and its derivatives can be approximated by Cl*2PCH2CH2PCl*2 moiety.