Stevan Armaković

发表

Modeling of fundamental electronic circuits by the Euler method using the Python programming language

L. Gojkovic, Stefan Malijevic, Stevan Armaković, 2020, Physics Education.

Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures

Y. Mary, C. Alsenoy, I. Yildiz, 2017 .

Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity

Girinath G. Pillai, Y. Mary, Y. Mary, 2019, Polycyclic Aromatic Compounds.

Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption properties.

S. Pelemiš, D. Mirjanić, Stevan Armaković, 2016, Physical chemistry chemical physics : PCCP.

DFT study of 1-butyl-3-methylimidazolium salicylate: a third-generation ionic liquid

S. Gadžurić, Stevan Armaković, S. Armaković, 2015, Journal of Molecular Modeling.

Investigation of 1,2,3-trialkylimidazolium ionic liquids: experiment and density functional theory calculations

S. Gadžurić, Stevan Armaković, S. Armaković, 2017 .

Determination of reactive properties of 1-butyl-3-methylimidazolium taurate ionic liquid employing DFT calculations

S. Gadžurić, Stevan Armaković, S. Armaković, 2016 .

Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea

Y. Mary, Y. Mary, Renjith Thomas, 2020, Journal of Molecular Structure.

Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron.

Y. Mary, Veena S. Kumar, Renjith Thomas, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools.

Y. Mary, Y. Mary, Renjith Thomas, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

K. S. Resmi, B. J. Mohan, Y. Mary, 2018, Journal of Molecular Structure.

Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach

S. Muthu, Stevan Armaković, J. Prasana, 2019, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.

Design, synthesis and computational analysis of novel acridine-(sulfadiazine/sulfathiazole) hybrids as antibacterial agents

M. Tahir, Stevan Armaković, S. Armaković, 2019, Journal of Molecular Structure.

Structural, 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 study

N. R. Patil, A. S. Patil, Stevan Armaković, 2019, Journal of Molecular Structure.

Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings

S. Radi, Stevan Armaković, S. Armaković, 2019, Journal of Molecular Structure.

Spectroscopic, antimicrobial and computational study of novel benzoxazole derivative

C. Van Alsenoy, C. Alsenoy, O. Temiz-Arpaci, 2019, Journal of Molecular Structure.

Photocatalytic degradation of 4-amino-6-chlorobenzene-1,3-disulfonamide stable hydrolysis product of hydrochlorothiazide: Detection of intermediates and their toxicity.

Stevan Armaković, S. Armaković, B. Abramović, 2018, Environmental pollution.

Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives

P. Miniyar, Y. Mary, Stevan Armaković, 2018 .

Synthesis, characterization and computational study of the newly synthetized sulfonamide molecule

P. A. Suchetan, P. A. Suchetan, L. Giri, 2018 .

Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach.

N. R. Patil, A. Suvitha, Stevan Armaković, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

K. S. Resmi, Y. Mary, Renjith Thomas, 2018 .

Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

K. S. Resmi, Y. Mary, B. Sureshkumar, 2018 .

Two novel imidazole derivatives – Combined experimental and computational study

K. S. Resmi, Y. Mary, A. Nanda, 2018, Journal of Molecular Structure.

Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative

Y. Mary, Y. Mary, C. Alsenoy, 2018 .

Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid

P. A. Suchetan, Stevan Armaković, S. Armaković, 2018, Journal of Molecular Structure.

Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study

Y. Mary, C. Alsenoy, Stevan Armaković, 2017 .

Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole

Y. Mary, R. Ravindran, C. Alsenoy, 2017 .

Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking study

Y. Mary, Y. Mary, C. Alsenoy, 2017 .

Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivative

C. Van Alsenoy, C. Alsenoy, Stevan Armaković, 2017 .

FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations

Ebtehal S. Al-Abdullah, C. Alsenoy, M. Doležal, 2017 .

Synthesis, crystal structure analysis, molecular docking studies and density functional theory predictions of the local reactive properties and degradation properties of a novel halochalcone

Stevan Armaković, S. Armaković, R. Pillai, 2017 .

FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

Y. Mary, C. Alsenoy, Stevan Armaković, 2017 .

New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches

Y. Mary, J. Jampílek, C. Alsenoy, 2017 .

Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study

Y. Mary, B. Sureshkumar, C. Van Alsenoy, 2017 .

Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one

C. Van Alsenoy, C. Alsenoy, Stevan Armaković, 2017 .

Synthesis, theoretical studies and molecular docking of a novel chlorinated tetracyclic: (Z/E)-3-(1,8-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl)acrylaldehyde

A. Almansour, Raju Suresh Kumar, Mujeeb A. Sultan, 2017 .

Novel synthetic approach, spectroscopic characterization and theoretical studies on global and local reactive properties of a bibenzimidazolyl derivative

N. Nayak, K. Prasad, Stevan Armaković, 2017 .

Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational study

Ebtehal S. Al-Abdullah, Y. Mary, C. Van Alsenoy, 2017 .

Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations

Y. Mary, K. Jalaja, C. Alsenoy, 2017 .

Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide

Y. Mary, A. Nanda, C. Alsenoy, 2017 .

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

Y. Mary, C. Alsenoy, Stevan Armaković, 2017 .

Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole.3H2O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studies

P. A. Suchetan, P. A. Suchetan, Y. Mary, 2017 .

Optical and bowl-to-bowl inversion properties of sumanene substituted on its benzylic positions; a DFT/TD-DFT study

J. Šetrajčić, Stevan Armaković, S. Armaković, 2013 .

Structuring of water in the new generation ionic liquid – Comparative experimental and theoretical study

S. Gadžurić, Stevan Armaković, S. Armaković, 2016 .

Experimental and computational study of hydrolysis and photolysis of antibiotic ceftriaxone: Degradation kinetics, pathways, and toxicity.

U. Gašić, Stevan Armaković, S. Armaković, 2021, The Science of the total environment.

Photophysical properties and theoretical investigations of newly synthesized pyrene-naphthalene based Schiff base ligand and its copper(II) complexes

K. Prasad, Stevan Armaković, S. Armaković, 2019, Inorganica Chimica Acta.

Adsorption properties of graphene towards the ephedrine – A frequently used molecule in sport

Stevan Armaković, C. Y. Panicker, S. Armaković, 2018 .

Efficiency of La-doped TiO2 calcined at different temperatures in photocatalytic degradation of β-blockers

B. Babic, A. Golubović, M. Šćepanović, 2017 .

Theoretical investigation on the reactivity and photophysical properties of cobalt(II) and manganese(II) complexes constructed using Schiff base ligands based on ALIE and TDDFT calculations

K. Prasad, Stevan Armaković, S. Armaković, 2017 .

TRANSPORT PROPERTIES OF PENTACENE, HEXACENE AND THEIR BN ANALOGUES

S. Pelemiš, I. Hut, Stevan Armaković, 2016, Contemporary Materials.

Structure making properties of 1-(2-hydroxylethyl)-3-methylimidazolium chloride ionic liquid

S. Gadžurić, Stevan Armaković, S. Armaković, 2016 .

Optoelectronic and charge carrier hopping properties of ultra-thin boron nitride nanotubes

S. Pelemiš, J. Šetrajčić, Stevan Armaković, 2015 .

Influence of electron acceptors on the kinetics of metoprolol photocatalytic degradation in TiO2 suspension. A combined experimental and theoretical study

D. Vione, J. Šetrajčić, Stevan Armaković, 2015 .

Specificities of boron disubstituted sumanenes

J. Šetrajčić, Stevan Armaković, S. Armaković, 2013, Journal of Molecular Modeling.

Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid

B. Sureshkumar, C. Van Alsenoy, Stevan Armaković, 2022, Journal of Molecular Structure.

Aromaticity, response, and nonlinear optical properties of sumanene modified with boron and nitrogen atoms

J. Šetrajčić, Stevan Armaković, S. Armaković, 2014, Journal of Molecular Modeling.

Active components of frequently used β-blockers from the aspect of computational study

J. Šetrajčić, Stevan Armaković, S. Armaković, 2012, Journal of Molecular Modeling.

Comprehensive Study of the Chemistry behind the Stability of Carboxylic SWCNT Dispersions in the Development of a Transparent Electrode

J. Matovic, V. Srdić, Stevan Armaković, 2022, Nanomaterials.

SURFACE LOCALIZATION OF ELECTRONS IN ULTRATHIN CRYSTALLINE STRUCTURES

J. Šetrajčić, Stevan Armaković, I. J. Šetrajčić, 2014 .

Understanding interactions between graphene and local anesthetic molecules applied in dentistry – Towards the prolonged effects of local anesthesia

S. Pelemiš, Stevan Armaković, S. Armaković, 2022, Journal of Molecular Liquids.

Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents

Y. Mary, Y. Mary, C. Van Alsenoy, 2022, Journal of Molecular Liquids.

Zeolites as Adsorbents and Photocatalysts for Removal of Dyes from the Aqueous Environment

S. Pelemiš, Stevan Armaković, S. Armaković, 2022, Molecules.

Evaluation of Photocatalytic Performance of Nano-Sized Sr0.9La0.1TiO3 and Sr0.25Ca0.25Na0.25Pr0.25TiO3 Ceramic Powders for Water Purification

N. Kanas, Annu Sharma, Stevan Armaković, 2022, Nanomaterials.

Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

K. S. Resmi, Y. Mary, Renjith Thomas, 2018 .

Interactions of Schiff base compounds and their coordination complexes with the drug cisplatin

J. Molnár, G. Spengler, M. Gajdács, 2018 .

Newly synthesized dihydroquinazoline derivative from the aspect of combined spectroscopic and computational study

Y. Mary, Y. Mary, C. Alsenoy, 2017 .

Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bro

N. S. Hashim, S. Sulaiman, C. Alsenoy, 2017 .

Remarkable colorimetric sensing behavior of pyrazole-based chemosensor towards Cu(ii) ion detection: synthesis, characterization and theoretical investigations

N. Nayak, K. Prasad, Stevan Armaković, 2018, RSC advances.

Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid.

B. Sureshkumar, C. Alsenoy, Stevan Armaković, 2022 .

Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties

Y. Mary, Y. Mary, M. Krátký, 2021 .

Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

K. S. Resmi, P. Miniyar, Y. Mary, 2018, Journal of Molecular Structure.

Studies on the synthesis, spectroscopic analysis, molecular docking and DFT calculations on 1-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazol 3-oxide

A. Nanda, C. Alsenoy, Stevan Armaković, 2017 .

Coordination compounds of a hydrazone derivative with Co(III), Ni(II), Cu(II) and Zn(II): synthesis, characterization, reactivity assessment and biological evaluation

G. Spengler, G. Bogdanović, V. Leovac, 2016 .

Linking azoles to isoniazid via hydrazone bridge: Synthesis, crystal structure determination, antitubercular evaluation and computational studies

T. Tønjum, Vagolu Siva Krishna, Stevan Armaković, 2022, Journal of Molecular Liquids.

Synthesis, characterization and computational studies of semicarbazide derivative

Y. Mary, P. Vennila, Stevan Armaković, 2018, Journal of Molecular Liquids.

Molecular structure, optoelectronic properties, spectroscopic (FT-IR, FT-Raman and UV–Vis), H-BDE, NBO and drug likeness investigations on 7, 8-benzocoumarin-4-acetic acid (7BAA)

Stevan Armaković, S. Armaković, Sudhir M. Hiremath, 2019, Journal of Molecular Structure.

Investigation of Pharmaceutical Importance of 2H-Pyran-2-One Analogues via Computational Approaches

A. Bahkali, R. Amachawadi, A. Elgorban, 2021, Symmetry.

Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies

Stevan Armaković, S. Armaković, Bhaskar Biswas, 2021 .

Reactivity properties and adsorption behavior of a triazole derivative – DFT and MD simulation studies

Y. Mary, Y. Mary, Aamal A. Al-Mutairi, 2021, Journal of Molecular Liquids.

Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres

A. Višnjevac, J. Padrón, N. Filipović, 2021 .

Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations

Y. Mary, Y. Mary, V. Chandramohan, 2021, Journal of Molecular Modeling.

Synthesis, spectroscopic analyses, chemical reactivity and molecular docking study and anti-tubercular activity of pyrazine and condensed oxadiazole derivatives

Abdul-Malek S. Al-Tamimi, P. Miniyar, Y. Mary, 2018, Journal of Molecular Structure.

Tumoricidal Potential of Novel Amino-1,10-phenanthroline Derived Imine Ligands: Chemical Preparation, Structure, and Biological Investigations

R. Amachawadi, N. Marraiki, A. Elgorban, 2020, Molecules.

Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Y. Mary, C. Van Alsenoy, C. Alsenoy, 2016 .

Pyridoxylidene aminoguanidine and its copper(II) complexes – Syntheses, structure and DFT calculations

V. Leovac, Stevan Armaković, S. Armaković, 2017 .

Remarkable sensing behavior of pyrazole-based chemosensor towards Cu(II) ion detection: Synthesis, characterization and theoretical investigations

N. Nayak, K. Prasad, Stevan Armaković, 2018 .

Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase

R. Razavi, Stevan Armaković, S. Armaković, 2021, Journal of biomolecular structure & dynamics.

Indole 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 studies

M. Richter, R. Ray, R. Amachawadi, 2020 .

Synthesis, conformational, characterization and reactivity study of 1,7-bis(4-bromophenyl)heptane-1,7-dione

P. A. Suchetan, Y. Mary, A. Al‐Saadi, 2019, Journal of Molecular Structure.

Towards the new heterocycle based molecule: Synthesis, characterization and reactivity study

P. A. Suchetan, Y. Mary, L. Giri, 2017 .

Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent

P. A. Suchetan, Y. Mary, Y. Mary, 2017 .

Optoelectronic properties of higher acenes, their BN analogue and substituted derivatives

S. Pelemiš, Stevan Armaković, S. Armaković, 2016 .

A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene – A frequently used benzene derivative

Y. Mary, M. Govindaraju, P. Vennila, 2018 .

Complexes of Zn(II) and Cd(II) with 2-acetylpyridine -aminoguanidine – Syntheses, structures and DFT calculations

V. Leovac, Stevan Armaković, S. Armaković, 2018 .

Novel Benzimidazole Derived Imine Ligand and Its Co(III) and Cu(II) Complexes as Anticancer Agents: Chemical Synthesis, DFT Studies, In Vitro and In Vivo Biological Investigations

A. Shati, M. Alfaifi, Stevan Armaković, 2023, Pharmaceuticals.

Kosmotropism of newly synthesized 1-butyl-3-methylimidazolium taurate ionic liquid: Experimental and computational study

S. Gadžurić, Stevan Armaković, S. Armaković, 2016 .

Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole

Y. Mary, K. Jalaja, C. Alsenoy, 2017 .

Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations

Y. Mary, M. Doležal, J. Zítko, 2017 .

Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulations

Y. Mary, B. Sureshkumar, Stevan Armaković, 2018, Journal of Molecular Structure.

Molecular structure, chemical reactivity and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-benzylpiperazine-1-yl)propyl]-4-azatricyclo[5.2.1.02,6] dec-8-ene-3, 5-dione

B. Sureshkumar, Stevan Armaković, C. Y. Panicker, 2022 .

Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: Combined spectroscopic, DFT, MD and docking study

Y. Mary, Y. Mary, C. Alsenoy, 2017 .

Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations

Y. Mary, Y. Mary, Stevan Armaković, 2021 .

Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations

K. S. Resmi, Y. Mary, B. Sureshkumar, 2017 .

Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor

M. Rudrapal, Stevan Armaković, S. Armaković, 2023, Journal of Molecular Structure.

Optoelectronic properties of the newly designed 1,3,5-triazine derivatives with isatin, chalcone and acridone moieties

Y. Mary, Y. Mary, S. Pelemiš, 2021 .

Optoelectronic properties of curved carbon systems

S. Koziel, Stevan Armaković, S. Armaković, 2017 .

Hybrid and bioactive cocrystals of pyrazinamide with hydroxybenzoic acids: Detailed study of structure, spectroscopic characteristics, other potential applications and noncovalent interactions using SAPT

Y. Mary, Renjith Thomas, J. S. Al-Otaibi, 2020 .

Molecular conformational analysis, reactivity, vibrational spectral analysis and molecular dynamics and docking studies of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione, a potential precursor to bioactive agent

Y. Mary, C. Van Alsenoy, C. Alsenoy, 2017 .

Removal of hydrochlorothiazide from drinking and environmental water: Hydrolysis, direct and indirect photolysis

N. Kladar, Stevan Armaković, S. Armaković, 2022, Energy & Environment.

Optical properties of layers of symmetric molecular nanofilms

D. Rodic, J. Šetrajčić, Stevan Armaković, 2015, Journal of Optics.

Optical properties of layers of symmetric molecular nanofilms

D. Rodic, J. Šetrajčić, Stevan Armaković, 2015 .

Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

Y. Mary, C. Alsenoy, I. Yildiz, 2017 .

Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations

Y. Mary, Y. Mary, Stevan Armaković, 2021 .

Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD study

Stevan Armaković, S. Armaković, B. Abramović, 2016, Journal of Molecular Modeling.

Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N, N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug

B. FathimaRizwana, Johanan Christian Prasana, Christina Susan Abraham, 2018, Comput. Biol. Chem..

Understanding how yttrium doping influences the properties of nickel ferrite – Combined experimental and computational study

V. Srdić, Z. Cvejic, Stevan Armaković, 2019, Ceramics International.

Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene—a DFT study

Stevan Armaković, S. Armaković, B. Narayana, 2020, Journal of biomolecular structure & dynamics.

Electronic structure of yttrium-doped zinc ferrite – Insights from experiment and theory

V. Srdić, Z. Cvejic, Stevan Armaković, 2020 .

Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies

K. S. Resmi, Y. Mary, B. Sureshkumar, 2018, Journal of Molecular Structure.

Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N′-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide

Y. Mary, Stevan Armaković, C. Y. Panicker, 2017 .

Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations

Y. Mary, K. Jalaja, C. Alsenoy, 2017 .

Atomistica.online – web application for generating input files for ORCA molecular modelling package made with the Anvil platform

Stevan Armaković, S. Armaković, S. Armaković, 2022, Molecular Simulation.

Exploring the influence of free radicals on photolytic removal of nadolol from water: Mechanism of degradation and toxicity of intermediates

N. Kladar, Stevan Armaković, S. Armaković, 2023, Frontiers in Environmental Science.

Biomass waste utilization for adsorbent preparation in CO2 capture and sustainable environment applications

M. Amjad, S. Anwar, M. Sultan, 2021 .

Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor

M. Rudrapal, Stevan Armaković, S. Armaković, 2023, Journal of Molecular Structure.

A DFT and MD study of reactive, H2 adsorption and optoelectronic properties of graphane nanoparticles – An influence of boron doping

Stevan Armaković, S. Armaković, A. Vuković, 2020 .

Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets

Stevan Armaković, S. Armaković, S. Armaković, 2016 .

PbSe sensitized with iodine and oxygen: a combined computational and experimental study

J. Matovic, V. Srdić, Stevan Armaković, 2021, Journal of Alloys and Compounds.

Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones

Olivera R. Klisurić, G. Portalone, J. Lozo, 2020 .

Photocatalytic Activity of the V2O5 Catalyst toward Selected Pharmaceuticals and Their Mixture: Influence of the Molecular Structure on the Efficiency of the Process

A. Kremenović, N. Tomić, M. Šćepanović, 2023, Molecules.

Sumanene as a delivery system for 5-fluorouracil drug – DFT, SAPT and MD study

M. Bleicher, Stevan Armaković, S. Armaković, 2021, Journal of Molecular Liquids.

Vibrational and electronic absorption spectroscopic profiling, natural hybrid orbital, charge transfer, electron localization function and molecular docking analysis on 3-amino-3-(2-nitrophenyl) propionic acid

Christina Susan Abraham, S. Muthu, Stevan Armaković, 2018, Journal of Molecular Structure.

A computational study of polydimethylsiloxane derivatives as a semi-permeable membrane for in-field identification of naphthenic acids in water using portable mass spectrometry

B. Brkić, Stevan Armaković, S. Armaković, 2022, Journal of Molecular Liquids.

Titanium Dioxide as the Most Used Photocatalyst for Water Purification: An Overview

Stevan Armaković, S. Armaković, Maria M. Savanović, 2022, Catalysts.

Kinetics, mechanism and toxicity of intermediates of solar light induced photocatalytic degradation of pindolol: Experimental and computational modeling approach.

Stevan Armaković, A. Tubić, S. Armaković, 2020, Journal of hazardous materials.

An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4,6-dichloro-2-(methylsulfonyl)pyrimidine: A potential third-order nonlinear optical material

C. Valverde, Stevan Armaković, S. Armaković, 2019, Journal of Molecular Structure.

Crystal structure determination and computational studies of 1,4-dihydropyridine derivatives as selective T-type calcium channel blockers

Stevan Armaković, S. Armaković, M. Gündüz, 2021 .