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Research outputs

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

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

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

Baranac-Stojanovic, Marija  

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

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

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.

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.

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.

Best methods for calculating interaction energies in 2-butene and butane systems   [2017]

Zarić, Milana  ; Bugarski, Branko  ; Kijevčanin, Mirjana  

Quantum chemical study on phenethylamines reveals new cation structures   [2017]

Ristić, Miroslav  ; Petković, Milena  ; Etinski, Mihajlo  

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