Figure 11

Fungicidal activity and DFT comparison of 5c, 7a and pyraclostrobin. (The DFT calculations were carried out in the ground-state (in vacuo) with Gaussian 09 software by using B3LYP/6–31 G* method. The HOMO and LUMO maps were extracted from GuassView 5.0 program based on the optimized structures).