Researchers

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Results 61-80 of 270

Issue DateTitleAuthor(s)TypeМ-cat.
2021Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulationsMary Y. Sheena; Mary Y. Shyma; Armaković Stevan  ; Armaković Sanja  ; Yadav Rohitash; Celik Ismail; Mane Pratap; Chakraborty BrahmanandaArticle
21M21
2021Investigation of pharmaceutical importance of 2h-pyran-2-one analogues via computational approachesShetgaonkar Samata E.; Kollur Shiva Prasad; Pillai Renjith Raveendran; Thangavel Karthick; Armaković Sanja  ; Armaković Stevan  ; Shivamallu Chandan; Amachawadi Raghavendra G.; Syed Asad; Elgorban Abdallah M.;
Bahkali Ali H.; Singh Fateh V.;
Article
22M22
2020Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thioureaBielenica, Anna; Beegum, Shargina; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Armaković, Stevan  ; Armaković, Sanja  ; Madeddu, Silvia; Struga, Marta; Van, Alsenoy C.Article
22M22
2020Tumoricidal potential of novel amino-1,10-phenanthroline derived imine ligands: Chemical preparation, structure, and biological investigationsPrasad, Kollur Shiva; Pillai, Renjith Raveendran; Shivamallu, Chandan; Prasad, Shashanka K.; Jain, Anisha S.; Pradeep, Sushma; Armaković, Stevan  ; Armaković, Sanja  ; Srinivasa, Chandrashekar; Kallimani, Sharadadevi;
Amachawadi, Raghavendra G.; Ankegowda, Veena Malligere; Marraiki, Najat; Elgorban, Abdallah M.; Syed, Asad;
Article
22M22
2020Electronic structure of yttrium-doped zinc ferrite – Insights from experiment and theory (✓)Jankov, Stevan; Armaković, Stevan  ; Tóth, Elvira; Srdić, Vladimir  ; Cvejić, Željka  ; Skuban, Sonja  Article
21aM21a
2020A DFT and MD study of reactive, H2 adsorption and optoelectronic properties of graphane nanoparticles – An influence of boron doping (✓)Rikalo, Aleksandar  ; Nikolić, Marina; Alanov, Marija; Vuković, Aleksandar  ; Armaković, Sanja  ; Armaković, Stevan  Article
22M22
2020Kinetics, mechanism and toxicity of intermediates of solar light induced photocatalytic degradation of pindolol: Experimental and computational modeling approach (✓)Armaković, Sanja  ; Armaković, Stevan  ; Šibul, Filip  ; Četojević-Simin, Dragana  ; Tubić, Aleksandra  ; Abramović, Biljana Article
21aM21a
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
2020Modeling of fundamental electronic circuits by the Euler method using the Python programming languageGojković Ljubomir; Malijević Stefan; Armaković Stevan  Article
24M24
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
21M21
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
22M22
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
2019An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4,6-dichloro-2-(methylsulfonyl)pyrimidine: A potential third-order nonlinear optical materialMurthy, P. Krishna; Valverde, Clodoaldo; Suneetha, V.; Armaković, Stevan  ; Armaković, Sanja  ; Rani, N. Usha; Naidu, N. VenkatasubbaArticle
22M22
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
2019Potential of Sumanene Modified with Boron and - Nitrogen Atoms for Adsorption of Carbon Dioxide: - DFT and SAPT StudyArmaković, Sanja J.  ; Armaković, Stevan R.  ; Sonja Skuban; Elvira Djurdjic; Stevan Jankov; Cvejić, Željka N.  Conference Paper
Mp. category will be shown later
2019Understanding how yttrium doping influences the properties of nickel ferrite – Combined experimental and computational study (✓)Jankov, Stevan  ; Armaković, Stevan  ; Đurđić, Elvira  ; Skuban, Sonja  ; Srdić, Vladimir  ; Cvejić, Željka  Article
21aM21a
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
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
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

Results 61-80 of 270