Naslov
Electronic structure of some pesticides

Autori
Kovač, Branka ; Novak, I.

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
XXII. HRVATSKI SKUP KEMIČARA I KEMIJSKIH INŽENJERA/ Knjiga sažetaka / Tomašić Vesna ; Maduna Valkaj Karolina (ur.). - Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2011, 152-152

ISBN
978-953-6894-42-0

Skup
XXII. HRVATSKI SKUP KEMIČARA I KEMIJSKIH INŽENJERA

Mjesto i datum
Zagreb, Hrvatska, 13.02.2011. - 16.02.2011

Vrsta sudjelovanja
Poster

Vrsta recenzije
Domaća recenzija

Ključne riječi
elektronska struktura; pesticidi
(electronic structure; pesticides)

Sažetak
The electronic structures of chemical pesticides: lindane (I), aldrin (II), dieldrin (III), diazinon (IV) and bromoxynil (V) have been investigated by UV photoelectron spectroscopy (UPS), quantum chemical calculations and virtual docking and molecular dynamics studies. Their electronic and molecular structures together with chemical reactivity are discussed in order to rationalize their biological activity as pesticides. This is the first reported attempt to rationalize the results of macroscopic studies of biological activity of pesticides in terms of molecular mechanisms of their activity based on electronic and molecular structures.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA