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Browsing by Subject NBO


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Showing results 1 to 14 of 14
Issue DateTitleAuthor(s)
5-Jan-2016Control of a photoswitching chelator by metal ions: DFT, NBO, and QTAIM analysisDimić, Dušan ; Petković, Milena 
5-Jun-2018Experimental and theoretical elucidation of structural and antioxidant properties of vanillylmandelic acid and its carboxylate anionDimić, Dušan ; Milenković, Dejan; Ilić, Jelica; Šmit, Biljana; Amić, Ana; Marković, Zoran; Dimitrić Marković, Jasmina 
1-Jan-2018Reactivity of the coumarine derivative towards cartilage proteins: combined NBO, QTAIM, and molecular docking studyMilenković, Dejan; Avdović, Edina H.; Dimić, Dušan ; Bajin, Zoran; Ristić, Branko; Vuković, Nenad; Trifunović, Srećko R.; Marković, Zoran S.
1-Sep-2022Spectroscopic, molecular docking, and ecotoxicology analyses of the monomer and dimers of 3-aminocyclohexa-2,6-diene-1-sulfonic acid – a theoretical approachRamarajan, Devarajan; Đorović Jovanović, Jelena; Marković, Zoran; Dimić, Dušan ; Sudha, Shanmugam
15-Apr-2017Structural and spectral analysis of 3-metoxytyramine, an important metabolite of dopamineDimić, Dušan ; Milenković, Dejan; Marković, Zoran; Dimitrić Marković, Jasmina 
1-Jun-2024Structural elucidation and Z-scan investigation of NLO E-N’-(4-formylbenzylidene)furan-2-carbohydrazide hydrate crystalShobana, D.; Sudha, S.; Dimić, Dušan 
1-Jan-2021Structural, antimicrobial, and molecular docking study of 3-(1-(4-hydroxyphenyl)amino) ethylidene)chroman-2,4-dione and its corresponding Pd complexAvdovic, Edina H.; Dimić, Dušan ; Milanovic, Ziko B.; Radulovic, Milanka; Stanojevic Pirkovic, Marijana
5-Nov-2017Structural, spectral and NBO analysis of 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dioneAvdović, Edina H.; Milenković, Dejan; Dimitrić Marković, Jasmina ; Vuković, Nenad; Trifunović, Srećko R.; Marković, Zoran
15-Feb-2022Synthesis, crystal structure, spectral characterization and Hirshfeld surface analysis of (E)-N′-(3-ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide single-crystal – a novel NLO active materialShobana, D.; Sudha, S.; Ramarajan, D.; Dimić, Dušan 
26-Sep-2022Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-SemicarbazoneJevtovic, Violeta; Alshammari, Njood; Latif, Salman; Alsukaibi, Abdulmohsen Khalaf Dhahi; Humaidi, Jamal; Alanazi, Tahani Y A; Abdulaziz, Fahad; Matalka, Samah I; Pantelić, Nebojša Đ; Marković, Milica ; Rakić, Aleksandra ; Dimić, Dušan 
15-Apr-2018Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dioneAvdović, Edina H; Milenković, Dejan; Dimitrić Marković, Jasmina ; Đorović, Jelena; Vuković, Nenad; Vukić, Milena D; Jevtić, Verica V; Trifunović, Srećko R; Potočňák, Ivan; Marković, Zoran
1-May-2023Synthesis, structural and spectral investigations of an optically active E-N′-(3,4-dimethoxybenzylidene)− 4-fluorobenzohydrazide crystalShobana, D.; Sudha, S.; Dimić, Dušan ; Ramarajan, D.
8-Mar-2024Theoretical Insights into Different Complexation Modes of Dioxovanadium(V) Compounds with Pyridoxal Semicarbazone/Thiosemicarbazone/S-Methyl-iso-thiosemicarbazone LigandsAlshammari, Odeh Abdullah Odeh; Maisara, Sawsan; Alshammari, Badriah; Alshammari, Maha Raghyan; Rakic, Violeta; Dimitrić Marković, Jasmina ; Jevtovic, Violeta; Dimić, Dušan 
1-Jan-2021Toxicity, structural analysis, and molecular docking studies of selected isonicotinohydrazide analogsRakić, Aleksandra ; Dimić, Dušan ; Dimitrić Marković, Jasmina ; Milenkovic, Dejan; Markovic, Zoran
Showing results 1 to 14 of 14

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University of Belgrade
Faculty of Physical Chemistry
Studentski trg 12-16
11158 Belgrade 118
PAC 105305
SERBIA
University of Belgrade Faculty of Physical Chemistry