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π-electron content of rings in polycyclic conjugated compounds – A valence bond based measure of local aromaticity   [2017]

Radenković, Slavko  ; Antić, Marija  ; Đorđević, Slađana  ; Braïda, Benoît

The nature of bonding in metal-metal singly bonded coinage metal dimers: Cu<inf>2</inf>, Ag<inf>2</inf> and Au<inf>2</inf>   [2017]

Radenkovic, Slavko  ; Danovich D.; Shaik S.; Hiberty P.; Braida B.

Thermodynamical aspect of radical scavenging activity of alizarin and alizarin red S. Theoretical comparative study   [2014]

Jeremić, Svetlana  ; Filipović, Nenad  ; Peulić, Aleksandar  ; Marković, Zoran  

BN- and B2N2-coronenes: Singlet and triplet state aromaticity, HOMO-LUMO and S0-T1 energy gap   [2025]

Baranac-Stojanovic, Marija  

Coronene and BN isosters of coronene: Revealing the electron density distribution using magnetic shielding maps   [2025]

Al-Yassiri, Muntadar AH; Baranac-Stojanovic, Marija M  

Insight into interaction properties between mercury and lead cations with chitosan and chitin: density functional theory studies   [2018]

Jeremić, Svetlana  ; Tran, T.H.; Marković, Zoran  ; Ngo, T.C.; Dao, D.Q.

Alkylation of potassium ethyl acetoacetate: HSAB versus Marcus theory   [2015]

Marković, Svetlana  ; Mitrović, Lj.; Đurđević Nikolić, Jelena  ; Tošović, Jelena  ; Petrović, Zorica  

Atomic partial charges for mixed chloroammine chromium(III) complexes fitted to the molecular electrostatic potential   [2012]

Đorđević, Ivana  ; Niketić, Svetozar R.

Influence of structural characteristics of substituents on the antioxidant activity of some anthraquinone derivatives   [2016]

Marković, Zoran  ; Jeremić, Svetlana  ; Dimitrić-Marković, Jasmina  ; Stanojević-Pirković, Marijana  ; Amić, Dragan

Unveiling crystalline modifications on the energy landscape of Cr3Si3N8 using the multi-methodological approach   [2026]

Škundrić, Tamara  ; Schön, J. C.; Zagorac, Jelena B.  ; Pejić, Milan  ; Zagorac, Dejan  

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