Chemical Reactivity of Isoproturon, Diuron, Linuron, and Chlorotoluron Herbicides in Aqueous Phase: A Theoretical Quantum Study Employing Global and Local Reactivity Descriptors

Table 1

Electronic energies calculated at the MP2/6-311++G(2d,2p) level of theory.

	Cation/	Neutral/	Anion/
Isoproturon	−650.482060	−650.608629	−650.728242
Chlorotoluron	−1031.69563	−1031.95653	−1031.97778
Diuron	−1451.54737	−1451.81897	−1451.84796
Linuron	−1526.57888	−1526.85348	−1526.88449