Electronic structure of herbicides: Atrazine and Bromoxynil

Igor Novak, Branka Kovac

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)57-59
Number of pages3
JournalChemical Physics Letters
Volume510
Issue number1-3
DOIs
Publication statusPublished - 06 Jun 2011

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