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Резултати

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  

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

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

Dimić, Dušan  ; Petković, Milena  

Influence of metal ion on chelate-aryl stacking interactions   [2018]

Malenov, Dušan P.  ; Hall, Michael B.; Zarić, Snežana D.  

Theoretical study of metal ligand aromatic cation-pi interactions of [Co(NH3)(6)](3+) with benzene   [2002]

Zmiric, A; Milčić, Miloš K.  ; Zarić, Snežana D.  

Theoretical scrutinization of nine benzoic acid dimers: Stability and energy decomposition analysis   [2019]

Petrović, Ivana; Milovanović, Branislav  ; Etinski, Mihajlo  ; Petković, Milena  

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