A comparative study of electrochemical oxidation of methidation organophosphorous pesticide on SnO2 and boron-doped diamond anodes

Table 1 Calculated partial charge and frontier electron density derived from RHF/6–31 + G (2d,2p) method

Atom	Partial charge	Frontier electron density	Atom	Partial charge	Frontier electron density
1P	2.346671	0.61767309	7N	−0.755026	0.05074912
2S	−0.764807	0.28262232	8N	−0.527338	0.00675071
3S	−0.519851	0.82272659	9C	1.139560	0.01041556
4O	−1.227905	0.15750226	0S	−0.182921	0.00631317
5O	−1.199251	0.11248018	1C	1.366795	0.02819456
6C	0.626992	0.00669293	2O	−0.974324	0.02423551
7C	0.571323	0.0022927	3O	−1.053448	0.00168228
14C	0.658733	0.95032112	4C	0.568562	2.5873E-05

ISSN: 2661-801X