. 2017 Oct 20;2(10):7029–7038. doi: 10.1021/acsomega.7b00907

Table 1. Electrophilic and Nucleophilic Parr Functions (P_k⁺ and P_k^–, Respectively) at the Atoms (C2, C6, and C8) in Reactants R1 and R2.

	R1	R2
Parr function	C2	C6	C8
P_k⁺	0.31^a	0.10	0.22
P_k^–	–0.01	–0.07	–0.02

All of the electrophilic and nucleophilic Parr functions (P_k⁺ and P_k^–) were calculated at the M06-2X/6-31G(d, p)/IEF-PCM_chloroform level of theory.

Table 1. Electrophilic and Nucleophilic Parr Functions (Pk+ and Pk–, Respectively) at the Atoms (C2, C6, and C8) in Reactants R1 and R2.

Table 1. Electrophilic and Nucleophilic Parr Functions (P_k⁺ and P_k^–, Respectively) at the Atoms (C2, C6, and C8) in Reactants R1 and R2.