Pregled bibliografske jedinice broj: 959802
Antiradical Activity of Selected Triazole
Antiradical Activity of Selected Triazole // Physical Chemistry 2018 (Proceedings, Volume I) / Čupić, Željko ; Anić, Slobodan (ur.).
Beograd: Society of Physical Chemists of Serbia, 2018. str. 121-124 (poster, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni)
CROSBI ID: 959802 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Antiradical Activity of Selected Triazole
Autori
Marković, Zoran ; Đorović, Jelena ; Milenković, Dejan ; Jeremić, Svetlana ; Joksović, Ljubinka ; Amić, Ana
Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni
Izvornik
Physical Chemistry 2018 (Proceedings, Volume I)
/ Čupić, Željko ; Anić, Slobodan - Beograd : Society of Physical Chemists of Serbia, 2018, 121-124
ISBN
978-86-82475-36-1
Skup
14th International Conference on Fundamental and Applied Aspects of Physical Chemistry
Mjesto i datum
Beograd, Srbija, 24.09.2018. - 28.09.2018
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
1, 2, 4-triazole-3-thione ; DFT ; HAT ; SET-PT ; SPLET ; B3LYP-D3
Sažetak
In the present study the B3LYP-D3/6-311G++(d, p) model is used to evaluate radical scavenging potency of selected triazole. Reaction enthalpies related to the scavenging mechanisms of the investigated species were calculated in methanol and benzene. Sequential proton loss electron transfer is a preferred reaction pathway in benzene. There is competition between that mechanism and hydrogen atom transfer in methanol.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
