Researchers



Results 101-120 of 307
Issue DateTitleAuthor(s)TypeМp-cat.
2020A DFT and MD study of reactive, H2 adsorption and optoelectronic properties of graphane nanoparticles – An influence of boron dopingRikalo, Aleksandar  ; Nikolić, Marina; Alanov, Marija; Vuković, Aleksandar  ; Armaković, Sanja  ; Armaković, Stevan  Article
21M21
2020Electronic structure of yttrium-doped zinc ferrite – Insights from experiment and theoryJankov, Stevan  ; Armaković, Stevan  ; Tóth, Elvira; Srdić, Vladimir  ; Cvejić, Željka  ; Skuban, Sonja  Article
21aM21a
2020Kinetics, mechanism and toxicity of intermediates of solar light induced photocatalytic degradation of pindolol: Experimental and computational modeling approachArmaković, Sanja  ; Armaković, Stevan  ; Šibul, Filip  ; Četojević-Simin, Dragana  ; Tubić, Aleksandra  ; Abramović, Biljana Article
21a+M21a+
2020Modeling of fundamental electronic circuits by the Euler method using the Python programming languageGojković Ljubomir; Malijević Stefan; Armaković Stevan  Article
23M23
2020Indole moiety induced biological potency in pseudo-peptides derived from 2-amino-2-(1H-indole-2-yl) based acetamides: Chemical synthesis, in vitro anticancer activity and theoretical studiesPrasad, Kollur Shiva; Pillai, Renjith Raveendran; Ghimire, Madhav Prasad; Ray, Rajyavardhan; Richter, Manuel; Shivamallu, Chandan; Jain, Anisha S.; Prasad, Shashanka K.; Sushma, P.; Armaković, Stevan  ;
Armaković, Sanja  ; Amachawadi, Raghavendra G.;
Article
22M22
2020Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical toolsBeegum, Shargina; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Armaković, Stevan  ; Armaković, Sanja  ; Zitko, Jan; Dolezal, Martin; Van, Alsenoy C.Article
21aM21a
2020Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene—a DFT studySheena Mary Y.; Mary Y. Shyma; Armaković Stevan  ; Armaković Sanja  ; Narayana B.Article
21M21
2020Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD studySureshkumar, Bhaskaran; Mary, Yohannan Sheena; Panicker, Chacko Yohannan; Suma, Somasekharan; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy Christian; Narayana, BadiadkaArticle
21M21
2019Spectroscopic, antimicrobial and computational study of novel benzoxazole derivativeBeegum, Shargina; Mary, Y Sheena; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Arisoy, Mustafa; Temiz-Arpaci, Ozlem; Van, Alsenoy ChristianArticle
22M22
2019Understanding how yttrium doping influences the properties of nickel ferrite – Combined experimental and computational studyJankov, Stevan  ; Armaković, Stevan  ; Đurđić, Elvira  ; Skuban, Sonja  ; Srdić, Vladimir  ; Cvejić, Željka  Article
21aM21a
2019Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potentialThomas, Renjith; Mary, Y. Sheena; Resmi, K.S.; Narayana, B.; Sarojini, S.B.K.; Armaković, Stevan  ; Armaković, Sanja  ; Vijayakumar, G.; Alsenoy, C. Van; Mohan, B.J.Article
22M22
2019Synthesis, conformational, characterization and reactivity study of 1,7-bis(4-bromophenyl)heptane-1,7-dioneMurthy, P. Krishna; Suneetha, V.; Smitha, M.; Mary, Y. Sheena; Armaković, Stevan  ; Armaković, Sanja  ; Rao, R. Sreenivasa; Suchetan, P.A.; Al-Saadi, Abdulaziz A.; Pavithran, RaniArticle
22M22
2019Photophysical properties and theoretical investigations of newly synthesized pyrene-naphthalene based Schiff base ligand and its copper(II) complexesPrasad, Kollur Shiva; Pillai, Renjith Raveendran; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2019Design, synthesis and computational analysis of novel acridine-(sulfadiazine/sulfathiazole) hybrids as antibacterial agentsGündüz, Miyase Gözde; Tahir, Muhammad Nawaz; Armaković, Stevan  ; Özkul, Koçak Ceren; Armaković, Sanja  Article
22M22
2019Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole ringsPillai, Renjith Raveendran; Karrouchi, Khalid; Fettach, Saad; Armaković, Stevan  ; Armaković, Sanja  ; Brik, Younes; Taoufik, Jamal; Radi, Smaail; El, Abbes Faouzi My; Ansar, M'hammedArticle
22M22
2019Fullerene C24</inf> as a potential carrier of ephedrine drug-a computational study of interactions and influence of temperatureTomić Bogdan; Abraham Christina Susan; Пелемиш Светлана ; Armaković Sanja  ; Armaković Stevan  Article
21M21
2019Reactive properties of ephedrine molecule – a frequently used stimulantS. Pelemiš; Bogdan Tomić; Armaković, Sanja J.  ; Armaković, Stevan R.  Conference Paper
Mp. category will be shown later
2019Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuronHaruna, K.; Kumar, Veena S.; Armaković, Sanja  ; Armaković, Stevan  ; Mary, Y. Sheena; Thomas, Renjith; Popoola, Saheed A.; Almohammedi, A.R.; Roxy, M.S.; Al-Saadi, A.A.Article
21M21
2019Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approachAbraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Stevan  ; Armaković, Sanja  ; Rizwana, B. Fathima; Geoffrey, Ben; David, R. Host AntonyArticle
21M21
2019Structural, spectroscopic characterization of 2-(5-methyl-1-benzofuran-3-yl) acetic acid in monomer, dimer and identification of specific reactive, drug likeness properties: Experimental and computational studyHiremath, Sudhir M.; Patil, Anil S.; Hiremath, Chidanandayya S.; Basangouda, Mahantesha; Khemalapure, Seema S.; Patil, Ninganagouda R.; Radder, Shivaraj B.; Armaković, Sanja  ; Armaković, Stevan  Article
22M22