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

Table 2

Global reactivity descriptors for isoproturon, chlorotoluron, diuron, and linuron at the MP2/6-311++G(2d,2p) level of theory, in the aqueous phase.

	/eV	/eV	/eV	/eV	/eV
Isoproturon	−3.44	−3.25	0.19	3.35	29.62
Chlorotoluron	−7.10	−0.58	6.52	3.84	1.13
Diuron	−7.39	−0.79	6.60	4.09	1.27
Linuron	−7.47	−0.84	6.63	4.16	1.30