Electronic structure of herbicides: Atrazine and bromoxynil (CROSBI ID 172228)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Novak, Igor ; Kovač, Branka
engleski
Electronic structure of herbicides: Atrazine and bromoxynil
The electronic structures of herbicides atrazine and bromoxynil have been investigated by UV photoelectron spectroscopy (UPS), quantum chemical calculations and comparison with X-ray diffraction, molecular docking and molecular dynamics studies. Their electronic and molecular structures are discussed in the context of their biological activity. This is the first report which correlates the molecular mechanism of biological activity of these herbicides with their experimentally determined electronic and molecular structures.
photoelectron spectra ; electronic structure ; atrazine ; bromoxynil
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Podaci o izdanju
510 (1-3)
2011.
57-59
objavljeno
0009-2614
1873-4448
10.1016/j.cplett.2011.05.031