Researchers



Results 81-100 of 211
Issue DateTitleAuthor(s)TypeМp-cat.
2023Multicomponent solid solution with pyrochlore structureMatović, Branko  ; Maletaškić, Jelena  ; Maksimović, Vesna  ; Dimitrijević, Stevan P.  ; Todorović, Bratislav  ; Pejić, Milan  ; Zagorac, Dejan  ; Zagorac, Jelena  ; Zeng, Yu-Ping; Cvijović-Alagić, Ivana  Article
21M21
2023ZnO/ZnS core/shell nanostructures: experiments combined with ab initio calculationsZagorac, Jelena B.  ; Zagorac, Dejan  ; Šrot, Vesna; Ranđelović, Marjan; Pejić, Milan  ; van Aken, Peter A.; Matović, Branko  ; Schön, Christian J.Conference Paper
Mp. category will be shown later
2023Theoretical study of AlN/BN mixed chemical systems and their mechanical propertiesZagorac, Dejan  ; Zagorac, Jelena  ; Fonović, Matej; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Đukić, M.; Matović, Branko  Conference Paper
Mp. category will be shown later
2023Ab initio investigation of the novel Cr2SiN4 compound under extreme pressure conditionsŠkundrić, Tamara  ; Zagorac, Dejan  ; Pejić, Milan  ; Jovanović, Dušica; Zagorac, Jelena  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023Energy landscape exploration and crystal structure prediction of two novel compounds in the Cr-Si-N systemŠkundrić, Tamara  ; Zagorac, Dejan  ; Pejić, Milan  ; Jovanović, Dušica; Zagorac, Jelena  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023DFT study of glutamine (L) molecule interaction with the 001 and 101 anatase slab surfaces in a vacuumJovanović, Dušica; Schön, Christian J.; Zagorac, Dejan  ; Zarubica, Aleksandra; Matović, Branko  ; Pejić, Milan  ; Škundrić, Tamara  ; Zagorac, Jelena B.  Conference Paper
Mp. category will be shown later
2023DFT Study of Crystalline TiO2 Phase Transitions Applicable in Extreme EnvironmentsJovanović, Dušica; Zagorac, Dejan  ; Zarubica, Aleksandra  ; Fonović, Matej; Zagorac, Jelena B.  Article
54M54
2022Chapter 8 - Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructuresZagorac, Dejan  ; Schön, J. Christian; Wales, David J.Book parts
13documentMNO za hemiju (26.03.2024.)
M13
2022Crystal structure prediction of novel Cr2SiN4 compound under extreme conditionsŠkundrić, Tamara  ; Zagorac, Dejan  ; Schön, Johann Christian; Zagorac, Jelena  ; Pejić, Milan  ; Jovanović, Dušica; Matović, Branko  Conference Paper
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2022Novel boron‐rich aluminum nitride advanced ceramic materialsZagorac, Dejan  ; Zagorac, Jelena B.  ; Fonović, Matej; Prikhna, Tatiana; Matović, Branko  Article
21M21
2022Structure prediction via global energy landscape exploration of the ternary rare-earth compound LaOIPejić, Milan  ; Zagorac, Dejan  ; Zagorac, Jelena B.  ; Matović, Branko  ; Schön, Johann ChristianArticle
22M22
2022Teoretical investigation of Y2O2SJordanov, Dragana  ; Zagorac, Dejan  ; Rosić, Milena  Conference Paper
Mp. category will be shown later
2022Anion substitution and the structure-property influence of sulfur on mixed TiO2/TiS2 compoundsJovanović, Dušica; Zagorac, Dejan  ; Matović, Branko  ; Pejić, Milan  ; Škundrić, Tamara  ; Zagorac, Jelena  Conference Paper
Mp. category will be shown later
2022Effect of aluminum addition on the structure and electronic properties of boron nitrideZagorac, Jelena  ; Jovanović, Dušica; Zagorac, Dejan  ; Škundrić, Tamara  ; Pejić, Milan  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2022Barium sulfide under pressure: structural changes, band gap engineering and mechanical propertiesZagorac, Dejan  ; Zagorac, Jelena  ; Doll, Klaus; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Matović, Branko  Conference Paper
Mp. category will be shown later
2022Crystal-Structure Prediction and Experimental Investigation of the Polymorphic Lanthanum Fluoride Selenides LaFSe and La2F4SeBuyer, Constantin; Grossholz, Hagen; Wolf, Sarah; Zagorac, Dejan B  ; Zagorac, Jelena B  ; Schoen, Johann Christian; Schleid, ThomasArticle
21aM21a
2022DFT study of the Cr2SiN4 under extreme pressure conditionsŠkundrić, Tamara  ; Zagorac, Dejan  ; Pejić, Milan  ; Zagorac, Jelena B.  ; Matović, Branko  Article
Mp. category will be shown later
2022Computational discovery of new modifications in scandium oxychloride (ScOCl) using a multi-methodological approachZagorac, Dejan  ; Zagorac, Jelena B.  ; Fonović, Matej; Pejić, Milan  ; Schön, Johann ChristianArticle
22M22
2022First-principles investigation and structure prediction in Holmium (III) fluoro-selenide systemPejić, Milan  ; Zagorac, Dejan  ; Zagorac, Jelena  ; Škundrić, Tamara  ; Jovanović, Dušica; Matović, Branko  Conference Paper
Mp. category will be shown later
2022Innovative materials under extreme conditions: Multidisciplinary approach on multiscale levelZagorac, Dejan  Conference Paper
Mp. category will be shown later