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Research outputs

A theoretical study of conformational flexibility, magnetic properties, and polarizabilities of trimethylnaphthalenes   [2013]

Ostojić, Bojana  ; Misic, Slobodan  ; Đorđević, Dragana  

Theoretical study of the oxidative polymerization of aniline with peroxydisul fate - tetramer formation   [2008]

Ćirić-Marjanović, Gordana  ; Trchova, Miroslava; Stejskal, Jarcislav

Theoretical insight into the magnetic circular dichroism of uranium N-6,N-7-edge X-ray absorption   [2019]

Ramanantoanina, Harry; Gruden-Pavlović, Maja  

The choice of the exchange-correlation functional for the determination of the Jahn-Teller parameters by the density functional theory   [2013]

Anđelković, Ljubica  ; Gruden-Pavlović, Maja  ; Daul, Claude; Zlatar, Matija  

Control of a photoswitching chelator by metal ions: DFT, NBO, and QTAIM analysis   [2015]

Dimić, Dušan  ; Petković, Milena  

Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion   [2013]

Ramanantoanina, Harry; Gruden-Pavlović, Maja  ; Zlatar, Matija  ; Daul, Claude

Geometric approach to vertex‐degree‐based topological indices–Elliptic Sombor index, theory and application   [2024]

Gutman, Ivan  ; Furtula, Boris  ; Oz, Mert Sinan

Stationary polarons in discrete molecular chains   [2013]

Toprek, Dragan  ; Ivić, Zoran  ; Kapor, Darko; Lekic, Sreten

Theoretical investigation of geometry and stability of small lithium-iodide LinI (n = 2-6) clusters   [2013]

Milovanović, Milan  ; Jerosimić, Stanka  

Comparative analysis of symmetric division deg index as potentially useful molecular descriptor   [2018]

Furtula, Boris  ; Ch., Das Kinkar; Gutman, Ivan  

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