Doç.Dr. SAVAŞ KAYA

Yayın Ağı

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler

Removal of erythrosine B dye from wastewater using chitosan boric acid composite material: Experimental and density functional theory findings

Cetinkaya H. F., SARIOĞLU CEBECİ M., KAYA S., Jalbani N. S., Maslov M. M., Marzouki R.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , cilt.36, sa.12, 2023 (SCI-Expanded)

Can van der Waals constants be used in the chemical reactivity analysis? A new approach as a support to minimum magnetizability principle

KAYA S., ŞİMŞEK S.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , cilt.36, sa.12, 2023 (SCI-Expanded)

Biological evaluation and in silico molecular docking studies of Abies cilicica (Antoine & Kotschy) Carrière) resin

GÜÇLÜ G., TAŞ A., DİNÇER E., Ucar E., KAYA S., Berisha A., et al.

Journal of Molecular Structure , cilt.1288, 2023 (SCI-Expanded) Sürdürülebilir Kalkınma

Experimental and theoretical insights about the effect of some newly designed azomethine group‐contained macroheterocycles on oxidative stress and DNA repair gene profiles in neuroblastoma cell lines

Cinar G., Agbektas T., Huseynzada A., Aliyeva G., Aghayev M., Hasanova U., et al.

Journal of Molecular Structure , cilt.1285, 2023 (SCI-Expanded)

Synthesis and spectral investigation of novel 4-aryl-5-(aryldiazenyl)thiazole dyes festooned with fluorene moiety: Experimental and theoretical insight

El Guesmi N., Khormi A. Y., S Alzahrani A., Asghar B. H., KAYA S., Katin K. P., et al.

Journal of Molecular Liquids , cilt.383, 2023 (SCI-Expanded)

Effect of an imidazole-based ionic liquid as anti-corrosion additive on the performance of Al-air batteries

Guo L., Zhang Q., Huang Y., KAYA S., Zheng X., Zhang R., et al.

Journal of Electroanalytical Chemistry , cilt.941, 2023 (SCI-Expanded)

Iron-ligand complex, an efficient inhibitor of steel corrosion in hydrochloric acid media

Zaidi K., Bouroumane N., Merimi C., Aouiniti A., Touzani R., Oussaid A., et al.

Journal of Molecular Structure , cilt.1284, 2023 (SCI-Expanded)

Investigating the optical, electronic, magnetic properties and DFT of NiO films prepared using RF sputtering with various argon pressures

Hopoğlu H., KAYA D., Maslov M. M., KAYA S., DEMİR İ., ALTUNTAŞ İ., et al.

Physica B: Condensed Matter , cilt.661, 2023 (SCI-Expanded)

Corrosion inhibition of mild steel in acidic media using new oxo-pyrimidine derivatives: Experimental and theoretical insights

Ferigita K. S. M., SARAÇOĞLU M., AlFalah M. G. K., YILMAZER M. İ., KÖKBUDAK Z., KAYA S., et al.

Journal of Molecular Structure , cilt.1284, 2023 (SCI-Expanded)

Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies

Muhammad U. S., ERKAN S., KAYA S.

Journal of Molecular Structure , cilt.1284, 2023 (SCI-Expanded)

DFT calculations of photophysical properties of ethylen-dioxy-thiophen derivatives oligomers with optoelectronic functionalities

Ninis O., El kharrim A., Agda F., Nebbach D., KAYA S., Abarkan M., et al.

Journal of Molecular Structure , cilt.1284, 2023 (SCI-Expanded)

Reactivity of diamanes against oxidation: A DFT study

KAYA S., Dua H., Sarkar U., Demin V. A., Kvashnin A. G.

Chemical Physics , cilt.571, 2023 (SCI-Expanded)

Changes in arginine metabolism in advanced Alzheimer's patients: Experimental and theoretical analyses

Sarı İ., Erşan S., Özmen E., Ayan D., Erşan E., Berisha A., et al.

Journal of Molecular Structure , cilt.1282, 2023 (SCI-Expanded)

Combination of doped amorphous carbon based dispersive solid phase extraction with ionic liquid-based DLLME for the extraction of aromatic amines from leather industries wastewater; Theoretical and experimental insights

Nemati M., Farajzadeh M. A., ALTUNAY N., Tuzen M., KAYA S., Maslov M. M., et al.

Journal of Molecular Structure , cilt.1281, 2023 (SCI-Expanded)

Experimental and theoretical observations in a mixed mode dispersive solid phase extraction of exogenous surfactants from exhaled breath condensate prior to HPLC-MS/MS analysis

Khoubnasabjafari M., ALTUNAY N., Tuzen M., KAYA S., Katin K. P., Farajzadeh M. A., et al.

Journal of Molecular Structure , cilt.1281, 2023 (SCI-Expanded)

Effect of MgFe2O4 catalyst preparation method on its surface characteristics and Fenton-like oxidation of tartrazine: Statistical comparison and DFT-assisted predation of mechanism

Soufi A., Khnifira M., Hajjaoui H., Abdennouri M., KAYA S., Bessbousse H., et al.

Materials Today Communications , cilt.35, 2023 (SCI-Expanded)

Adsorption of 40 low molecular weight drugs on pristine and fluorinated C60 fullerenes: Ab initio, statistical and neural networks analysis

Kalika E. B., Bondarev N. V., Katin K. P., Kochaev A. I., Grekova A. A., KAYA S., et al.

Journal of Molecular Liquids , cilt.377, 2023 (SCI-Expanded)

Acetylsalicylic acid as an environmentally friendly corrosion inhibitor for carbon steel XC48 in chloride environment

Merimi C., Hammouti B., Zaidi K., Hafez B., Elmsellem H., Touzani R., et al.

Journal of Molecular Structure , cilt.1278, 2023 (SCI-Expanded)

Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N4-phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis

Sithambaresan M., Kurup M. R. P., SERDAROĞLU G., KAYA S.

Journal of Molecular Structure , cilt.1277, 2023 (SCI-Expanded)

Experimental and density functional theoretical analyses on degradation of acid orange 7 via UV irradiation and ultrasound enhanced by fenton process

YILDIZ S., Canbaz G., KAYA S., Maslov M. M.

Journal of Molecular Structure , cilt.1277, 2023 (SCI-Expanded)

Unraveling Bonding Mechanisms and Electronic Structure of Pyridine Oximes on Fe(110) Surface: Deeper Insights from DFT, Molecular Dynamics and SCC-DFT Tight Binding Simulations

Lgaz H., Lee H., KAYA S., Salghi R., Ibrahim S. M., Chafiq M., et al.

Molecules , cilt.28, sa.8, 2023 (SCI-Expanded)

Equilibrium and DFT modeling studies for the biosorption of Safranin O dye from water samples using Bacillus subtilis biosorbent

ÇETİNKAYA S., KAYA S., Aksu A., ÇETİNTAŞ H. İ., Jalbani N. S., ERKAN S., et al.

Journal of Molecular Structure , cilt.1276, 2023 (SCI-Expanded)

Prunus mahaleb shell as a sustainable bioresource for carminic acid removal from aqueous solution: Experimental and theoretical studies

Keskin Z. S., Şenol Z. M., Kaya S., Şimşek S.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1275, ss.1-11, 2023 (SCI-Expanded)

Experimental and theoretical insights about the effect of some newly designed azomethine group-contained macroheterocycles on oxidative stress and DNA repair gene profiles in neuroblastoma cell lines

Çınar G., Ağbektaş T., Huseynzada A., Aliyeva G., Aghayev M., Hasanova U., et al.

JOURNAL OF MOLECULAR STRUCTURE , ss.2-16, 2023 (SCI-Expanded)

A detailed electronic-scale DFT modeling/MD simulation, electrochemical and surface morphological explorations of imidazolium-based ionic liquids as sustainable and non-toxic corrosion inhibitors for mild steel in 1 M HCl

EL Hajjaji F., Ech-chihbi E., Salim R., Titi A., Messali M., El Ibrahimi B., et al.

Materials Science and Engineering B: Solid-State Materials for Advanced Technology , cilt.289, 2023 (SCI-Expanded)

Adsorption mechanism investigation of methylthioninium chloride dye onto some metal phosphates using Monte Carlo dynamic simulations and DFT calculations

Attarki J., Khnifira M., Boumya W., Mahsoune A., Lemdek E., Sadiq M., et al.

Inorganic Chemistry Communications , cilt.149, 2023 (SCI-Expanded)

Adsorption properties of amine modified lignin-hydrogel composite for uranyl ions: Theoretical and experimental insights

ŞİMŞEK S., KAYA S., Jalbani N. S.

Journal of the Indian Chemical Society , cilt.100, sa.2, 2023 (SCI-Expanded)

Experimental and theoretical insights on the structural and optical properties of GeOx thin films deposited via RF magnetron sputtering under varying oxygen percentage

ŞENADIM TÜZEMEN E., Hopoğlu H., SARITAŞ S., AYDINOĞLU H. S., ERTUĞRUL M., Maslov M., et al.

Physica B: Condensed Matter , cilt.650, 2023 (SCI-Expanded)

Green synthesis of reduced graphene oxide and their use on column adsorption of phenol from olive mill wastewater

Haydari I., Aziz K., Kaya S., Daştan T., Ouazzani N., Mandi L., et al.

Process Safety and Environmental Protection , cilt.170, ss.1079-1091, 2023 (SCI-Expanded)

Anisotropic Carrier Mobility and Spectral Fingerprints of Two-Dimensional γ-Phosphorus Carbide with Antisite Defects

Katin K. P., Maslov M. M., Nikitenko V. R., Kochaev A. I., KAYA S., Prezhdo O. V.

Journal of Physical Chemistry Letters , cilt.14, sa.1, ss.214-220, 2023 (SCI-Expanded)

Synthesis and spectral properties of novel series of fluorene-based azo dyes containing thiazole scaffold: Studying of the solvent and substituent effect on absorption spectra

ElGuesmi N., Farghaly T., Khormi A. Y., Shaaban M. R., Katin K. P., KAYA S.

Journal of Molecular Structure , cilt.1271, 2023 (SCI-Expanded)

Recent Trends in the Characterization and Application Progress of Nano-Modified Coatings in Corrosion Mitigation of Metals and Alloys

Thakur A., KAYA S., Kumar A.

Applied Sciences (Switzerland) , cilt.13, sa.2, 2023 (SCI-Expanded)

Low-cost materials as vehicles for pesticides in aquatic media: a review of the current status of different biosorbents employed, optimization by RSM approach

Aziz K., Mamouni R., KAYA S., Aziz F.

Environmental Science and Pollution Research , 2023 (SCI-Expanded)

Spectroscopic, crystal structure and DFT-assisted studies of some nickel(II) chelates of a heterocyclic-based NNO donor aroylhydrazone: in vitro DNA binding and docking studies

Nair Y., Joy F., Vinod T., Vineetha M., Kurup M. R. P., KAYA S., et al.

Molecular Diversity , 2023 (SCI-Expanded)

Advancement of corrosion inhibitor system through N-heterocyclic compounds: a review

Sheetal S., Batra R., Singh A. K., Singh M., Thakur S., Pani B., et al.

Corrosion Engineering Science and Technology , cilt.58, sa.1, ss.73-101, 2023 (SCI-Expanded)

An effective and smart corrosion inhibitor in acidic environment: Experimental & theoretical studies

Bouoidina A., Haldhar R., Salim R., Ech-chihbi E., Ichou H., El-Hajjaji F., et al.

Korean Journal of Chemical Engineering , cilt.40, sa.1, ss.235-247, 2023 (SCI-Expanded)

Phenolic compounds removal in table olive processing wastewater by column adsorption: conditions’ optimization

Aziz K., Haydari I., KAYA S., Mandi L., Ouazzani N., Aziz F.

Environmental Science and Pollution Research , 2023 (SCI-Expanded)

Biosorption of lead ions (Pb2+) from water samples using dried Lemna minor biomass: experimental and density functional theory studies

KAYA S., ÇETİNKAYA S., Jalbani N. S., YENİDÜNYA A. F., KÜTÜK N., KASAKA E., et al.

Biomass Conversion and Biorefinery , 2023 (SCI-Expanded)

Metal cations toxicity: An inorganic interpretation

KAYA S., Bezerra C. W., Fernandes de Farias R., Çiltaş A., ELİK M.

Journal of the Indian Chemical Society , cilt.100, sa.1, 2023 (SCI-Expanded)

Quantum chemical and molecular dynamics simulation approach to investigate adsorption behaviour of organic azo dyes on TiO2 and ZnO surfaces

Mandal S., Zamindar S., Sarkar S., Murmu M., Guo L., KAYA S., et al.

JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY , cilt.37, sa.10, ss.1649-1665, 2023 (SCI-Expanded)

A Combined Study on Degradation Mechanism of Reactive Orange 16 through Fenton-like Process: Experimental Studies and Density Functional Theoretical Findings

YILDIZ S., TOPAL CANBAZ G., KAYA S., Maslov M. M.

ChemistrySelect , cilt.7, sa.48, 2022 (SCI-Expanded)

Molecular dynamic simulations and computational DFT of adsorption performances of malachite green on the metal fluorides in aqueous medium

Boumya W., Khnifira M., Abdennouri M., KAYA S., Achak M., Barka N.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1270, 2022 (SCI-Expanded)

Elucidating the adsorption mechanisms of anionic dyes on chitosan (110) surface in aqueous medium by quantum chemical and molecular dynamics

Khnifira M., Boumya W., Attarki J., Mahsoune A., Abdennouri M., Sadiq M. '., et al.

MATERIALS TODAY COMMUNICATIONS , cilt.33, 2022 (SCI-Expanded)

Synthesis of new halogenated compounds based on 8-hydroxyquinoline derivatives for the inhibition of acid corrosion: Theoretical and experimental investigations

Rbaa M., Galai M., Ouakki M., Hsissou R., Berisha A., KAYA S., et al.

MATERIALS TODAY COMMUNICATIONS , cilt.33, 2022 (SCI-Expanded)

Multilayer perceptron neural network-based QSAR models for the assessment and prediction of corrosion inhibition performances of ionic liquids

Quadri T. W., Olasunkanmi L. O., Fayemi O. E., Akpan E. D., Lee H. S., Lgaz H., et al.

COMPUTATIONAL MATERIALS SCIENCE , cilt.214, 2022 (SCI-Expanded)

Effect of electron donors on the photophysical and theoretical properties of BODIPY dyes based on tetrazolo[1,5-a]quinoline

Arslana B. S., Derin Y., Misir B. A., KAYA S., ŞİŞMAN İ., TUTAR A., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1267, 2022 (SCI-Expanded)

Recent Advancements in Surface Modification, Characterization and Functionalization for Enhancing the Biocompatibility and Corrosion Resistance of Biomedical Implants

Thakur A., Kumar A., KAYA S., Marzouki R., Zhang F., Guo L.

COATINGS , cilt.12, sa.10, 2022 (SCI-Expanded)

Adsorption study of N (-benzo[d]thiazol-2-yl)-1-(thiophene-2-yl) methanimine at mild steel/aqueous H2SO4 interface

Singh A. K., Singh M., Thakur S., Pani B., KAYA S., EL Ibrahimi B., et al.

SURFACES AND INTERFACES , cilt.33, 2022 (SCI-Expanded)

Combined experimental and theoretical analyses on design, synthesis, characterization, and in vitro cytotoxic activity evaluation of some novel imino derivatives containing pyrazolone ring

Basaran E., ÇAKMAK R., AKKOÇ S., KAYA S.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1265, 2022 (SCI-Expanded)

Experimental, DFT and MC simulation analysis of Vicia Sativa weed aerial extract as sustainable and eco-benign corrosion inhibitor for mild steel in acidic environment

Thakur A., KAYA S., Abousalem A. S., Kumar A.

SUSTAINABLE CHEMISTRY AND PHARMACY , cilt.29, 2022 (SCI-Expanded)

Insights into the role of nanotechnology on the performance of biofuel cells and the production of viable biofuels: A review

Assad H., KAYA S., Kumar P. S., Vo D. N., Sharma A., Kumar A.

FUEL , cilt.323, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Enhancement corrosion resistance of mild steel in 15% HCl solution by a novel bio-based polyurethane for oil well acidizing

Rahimi A., Abdouss M., Farhadian A., Guo L., KAYA S., Neshati J.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY , cilt.113, ss.332-347, 2022 (SCI-Expanded)

Theoretical investigations on the unimolecular decomposition mechanisms of isopropyl acetate

Abdel-Rahman M. A., Shiroudi A., KAYA S., El-Nahas A. M.

Journal of Molecular Structure , cilt.1262, 2022 (SCI-Expanded)

Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches

Hsissou R., Azogagh M., Benhiba F., Echihi S., Galai M., Shaim A., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.360, 2022 (SCI-Expanded)

Effect of Hemp Fiber Addition on Mechanical Properties of Acrylic Resin: Coupled Experimental and Theoretical Study

BOLAYIR G., SOYGUN K., KILIÇ AVŞAR M., BOZTUĞ A., KAYA S., Katin K. P.

FIBERS AND POLYMERS , cilt.23, sa.8, ss.2271-2278, 2022 (SCI-Expanded)

Inhibitive performance of novel/eco-friendly pyrimidine derivative for Q235 steel protection in 15% HCl under hydrodynamic condition: Combination of experimental, surface and computational approach

Singh A., Ansari K. R., Lin Y., Ali I. H., KAYA S., El Ibrahimi B.

MATERIALS TODAY COMMUNICATIONS , cilt.32, 2022 (SCI-Expanded)

An investigation on the synthesis, characterization and anti-corrosion properties of choline based ionic liquids as novel and environmentally friendly inhibitors for mild steel corrosion in 5% HCl

Mobin M., Aslam R., Salim R., KAYA S.

JOURNAL OF COLLOID AND INTERFACE SCIENCE , cilt.620, ss.293-312, 2022 (SCI-Expanded)

High-Performance Material for the Effective Removal of Uranyl Ion from Solution: Computationally Supported Experimental Studies

Şimşek S., Derin Y., Kaya S., Hasdemir Z. M., Katin K. P., Özer A.

LANGMUIR , cilt.1, sa.1, ss.1-16, 2022 (SCI-Expanded)

On the Prediction of Lattice Energy with the Fukui Potential: Some Supports on Hardness Maximization in Inorganic Solids

KAYA S., Robles-Navarro A., Mejia E., Gomez T., Cardenas C.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.126, sa.27, ss.4507-4516, 2022 (SCI-Expanded)

Handling Keywords: MXene Nanomaterial Hazardous pollutant Adsorption Environmental remediation

Assad H., Fatma I., Kumar A., KAYA S., Vo D. N., Al-Gheethi A., et al.

CHEMOSPHERE , cilt.298, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Crystal chemistry, DFT calculation and optical properties of the double perovskite stannate Sr2Sn0.8In0.8W0.4O6

Belgacem B., Maslov M. M., KAYA S., Ali I. H., Ben Hassen R.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1259, 2022 (SCI-Expanded)

Designing new donors organic compounds with IDIC core for photovoltaic application

Nebbach D., Agda F., Lakhlifi T., Ajana M. A., Kaya S., Siddique F., et al.

OPTIK , cilt.262, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

New mixed-ligand iron(III) complexes containing thiocarbohydrazones: Preparation, characterization, and chemical reactivity analysis through theoretical calculations

KAYA Y., ERÇAĞ A., KAYA S., Katin K. P., ATİLLA D.

APPLIED ORGANOMETALLIC CHEMISTRY , cilt.36, sa.7, 2022 (SCI-Expanded)

Experimental and density functional theoretical modeling of triazole pesticides extraction by Ti2C nanosheets as a sorbent in dispersive solid phase extraction method before HPLC-MS/MS analysis

Marzi Khosrowshahi E., Afshar Mogaddam M. R., Javadzadeh Y., ALTUNAY N., Tuzen M., KAYA S., et al.

Microchemical Journal , cilt.178, 2022 (SCI-Expanded)

Mathematical modeling studies for the adsorptive removal of ciprofloxacin drug from water samples using functionalized silica resin

Junejo R., Jalbani N. S., KAYA S., SERDAROĞLU G., ELİK M.

CHEMICAL PAPERS , cilt.76, sa.6, ss.3413-3423, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Experimental and density functional theory studies during a new solid phase extraction of phenolic compounds from wastewater samples prior to GC–MS determination

Farajzadeh M. A., Nemati M., ALTUNAY N., Tuzen M., KAYA S., Kheradmand F., et al.

Microchemical Journal , cilt.177, 2022 (SCI-Expanded)

Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption

Kalika E. B., Katin K. P., Kochaev A., KAYA S., ELİK M., Maslov M. M.

JOURNAL OF MOLECULAR LIQUIDS , cilt.353, 2022 (SCI-Expanded)

Computational and experimental studies on the corrosion inhibition performance of an aerial extract of Cnicus Benedictus weed on the acidic corrosion of mild steel

Thakur A., KAYA S., Abousalem A. S., Sharma S., Ganjoo R., Assad H., et al.

PROCESS SAFETY AND ENVIRONMENTAL PROTECTION , cilt.161, ss.801-818, 2022 (SCI-Expanded)

An insight about the interaction of Aryl Benzothiazoles with mild steel surface in aqueous HCl solution

Sheetal S., Sengupta S., Singh M., Thakur S., Pani B., Banerjee P., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.354, 2022 (SCI-Expanded)

Theoretical and experimental insights about the adsorption of uranyl ion on a new designed Vermiculite-Polymer composite

Şimşek S., Kaya S., Mine Şenol Z. M., Ulusoy H. İ., Katin K., Özer A., et al.

Journal of Molecular Liquids , cilt.352, 2022 (SCI-Expanded)

Natural corrosion inhibitor of renewable eco-waste for SS-410 in sulfuric acid medium: adsorption, electrochemical, and computational studies

Prasad D., Singh R., KAYA S., el Ibrahimi B.

JOURNAL OF MOLECULAR LIQUIDS , cilt.351, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Synthesis, spectral characterization, chemical reactivity and anticancer behaviors of some novel hydrazone derivatives: Experimental and theoretical insights

ÇAKMAK R., Basaran E., KAYA S., ERKAN S.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1253, 2022 (SCI-Expanded)

One-Pot Hydrothermal Synthesized Nitrogen and Sulfur Codoped Carbon Dots for Acid Corrosion Inhibition of Q235 Steel br

Guo L., Zhu M., He Z., Zhang R., KAYA S., Lin Y., et al.

LANGMUIR , cilt.38, sa.13, ss.3984-3992, 2022 (SCI-Expanded)

A comprehensive and current review on the role of flavonoids in lung cancer–Experimental and theoretical approaches

BERK Ş., KAYA S., Akkol E. K., BARDAKCI H.

Phytomedicine , cilt.98, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Kaya's composite descriptor and Maximum Composite Hardness Rule for chemical reactions

Kaya S., Özbakır Işın D., Karakuş N.

JOURNAL OF THE INDIAN CHEMICAL SOCIETY , cilt.99, sa.3, 2022 (SCI-Expanded)

Development of dispersive solid-liquid extraction method based on organic polymers followed by deep eutectic solvents elution; application in extraction of some pesticides from milk samples prior to their determination by HPLC-MS/MS

Nemati M., TÜZEN M., Farazajdeh M. A., KAYA S., Mogaddam M. R. A.

ANALYTICA CHIMICA ACTA , cilt.1199, 2022 (SCI-Expanded)

Probing of Neural Networks as a Bridge from Ab Initio Relevant Characteristics to Differential Scanning Calorimetry Measurements of High-Energy Compounds

Bondarev N., Katin K. P., Merinov V. B., Kochaev A., KAYA S., Maslov M. M.

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS , cilt.16, sa.3, 2022 (SCI-Expanded)

Suppressing inhibitory compounds by nanomaterials for highly efficient biofuel production: A review

Thakur A., Kumar A., KAYA S., Vo D. N., Sharma A.

FUEL , cilt.312, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Development of QSAR-based (MLR/ANN) predictive models for effective design of pyridazine corrosion inhibitors

Quadri T. W., Olasunkanmi L. O., Akpan E. D., Fayemi O. E., Lee H., Lgaz H., et al.

MATERIALS TODAY COMMUNICATIONS , cilt.30, 2022 (SCI-Expanded)

Novel gossypol-indole modification as a green corrosion inhibitor for low-carbon steel in aggressive alkaline-saline solution

Berdimurodov E., Kholikov A., Akbarov K., Guo L., KAYA S., Katin K. P., et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS , cilt.637, 2022 (SCI-Expanded)

Phenylamine/Amide Grafted in Silica as Sensing Nanocomposites for the Removal of Carbamazepine: A DFT Approach

Algarra M., Jodeh S., Aqel I., Hanbali G., Radi S., Tighadouini S., et al.

CHEMOSENSORS , cilt.10, sa.2, 2022 (SCI-Expanded)

Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs

Katin K. P., Kochaev A. I., KAYA S., El-Hajjaji F., Maslov M. M.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES , cilt.23, sa.4, 2022 (SCI-Expanded)

An experimental and theoretical approach to electrochemical sensing of environmentally hazardous dihydroxy benzene isomers at polysorbate modified carbon paste electrode

Ganesh P., Kim S., KAYA S., Salim R.

SCIENTIFIC REPORTS , cilt.12, sa.1, 2022 (SCI-Expanded)

Novel glycoluril pharmaceutically active compound as a green corrosion inhibitor for the oil and gas industry

Berdimurodov E., Kholikov A., Akbarov K., Guo L., KAYA S., Verma D. K., et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY , cilt.907, 2022 (SCI-Expanded)

Experimental and DFT Modeling Studies for the Adsorptive Removal of Reactive Dyes from Wastewater

Junejo R., Shams Jalbani N., KAYA S., SERDAROĞLU G., ŞİMŞEK S., Memon S.

SEPARATION SCIENCE AND TECHNOLOGY , cilt.57, sa.3, ss.339-353, 2022 (SCI-Expanded)

Non-fullerene acceptor IDIC based on indacinodithiophene used as an electron donor for organic solar cells: A computational study

Nebbach D., Agda F., KAYA S., Siddique F., Lakhlifi T., Ajana M. A., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.348, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

DFT computational study of trihalogenated aniline derivative's adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)

Al-Otaibi J. S., Mary Y. S., Mary Y. S., Kaya S., Serdaroğlu G.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.40, sa.19, ss.8630-8643, 2022 (SCI-Expanded)

A benzimidazolium salt as effective corrosion inhibitor against the corrosion of mild steel in acidic medium: experimental and theoretical studies

ŞAHİN N., KAYA S., Aydin O., Katin K. P., Chaouiki A., GÜRBÜZ N., et al.

JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY , cilt.36, sa.23-24, ss.2665-2687, 2022 (SCI-Expanded)

Recent Innovations in Nano Container-Based Self-Healing Coatings in the Construction Industry

Thakur A., KAYA S., Kumar A.

CURRENT NANOSCIENCE , cilt.18, sa.2, ss.203-216, 2022 (SCI-Expanded)

Detailed Electronic Structure, Physico-Chemical Properties, Excited State Properties, Virtual Bioactivity Screening and SERS Analysis of Three Guanine Based Antiviral Drugs Valacyclovir HCl Hydrate, Acyclovir and Ganciclovir

Al-Otaibi J. S., Mary Y. S., Thomas R., KAYA S.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.42, sa.4, ss.1260-1270, 2022 (SCI-Expanded)

Conformational Analysis, Spectroscopic Insights, Chemical Descriptors, ELF, LOL and Molecular Docking Studies of Potential Pyrimidine Derivative with Biological Activities

Mary Y. S., Mary Y. S., SERDAROĞLU G., KAYA S., Sarojini B. K., Umamahesvari H., et al.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.42, sa.8, ss.5160-5170, 2022 (SCI-Expanded)

Equilibrium, thermodynamic, and kinetic modeling studies for the adsorptive removal of oxyanions from water

Junejo R., Shams Jalbani N., KAYA S., SERDAROĞLU G., ELİK M., Memon S.

SEPARATION SCIENCE AND TECHNOLOGY , cilt.57, sa.12, ss.1884-1899, 2022 (SCI-Expanded)

Sour corrosion of C1018 carbon steel and its inhibition by 1-benzylimidazole: electrochemical, SEM, FTIR and computational assessment

Onyeachu I. B., Njoku D., Kaya S., El Ibrahimi B., Nnadozie C. F.

JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY , cilt.36, sa.7, ss.774-794, 2022 (SCI-Expanded)

Spectral studies and quantum chemical ab initio calculations for Copper(II) complexes of two heterocyclic aroylhydrazones

Sheeja S. R., Mangalam N. A., Sithambaresan M., Kurup M. R. P., Kaya S., Serdaroğlu G.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1245, 2021 (SCI-Expanded)

Experimental and theoretical investigation on the inhibition performance of disulfide derivatives on cobalt corrosion in alkaline medium

Ma T., Tan B., Guo L., Wang W., Li W., Ji J., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.341, 2021 (SCI-Expanded)

Performance of curing epoxy resin as potential anticorrosive coating for carbon steel in 3.5% NaCl medium: Combining experimental and computational approaches

Hsissou R., Benhiba F., Echihi S., Benzidia B., Cherrouf S., Haldhar R., et al.

CHEMICAL PHYSICS LETTERS , cilt.783, 2021 (SCI-Expanded)

Novel bromide-cucurbit[7]uril supramolecular ionic liquid as a green corrosion inhibitor for the oil and gas industry

Berdimurodov E., Kholikov A., Akbarov K., Guo L., KAYA S., Katin K. P., et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY , cilt.901, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

Synthesis, spectroscopic characterization, DFT calculations, and molecular docking studies of new unsymmetric bishydrazone derivatives

Kaya Y., Erçağ A., Serdaroğlu G., Kaya S., Grillo I. B., Rocha G. B.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1244, 2021 (SCI-Expanded)

Inhibition effect of newly synthesized benzoxanthonesderivative on hydrogen evolution and Q235 steelcorrosion in 15% HCl under hydrodynamic condition: Combination of experimental, surface and computational study

Singh A., Bedi P., Ansari K. R., Pramanik T., Chaudhary D., Santra S., et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , cilt.46, sa.76, ss.37995-38007, 2021 (SCI-Expanded)

Synthesis, identification, density functional and Hirshfeld surface studies of 2,2 '-disulfanediylbis(tetrahydro-4H-cyclopenta[d][1,3,2]dioxaphosphole-2-sulfide)

Mkadmh A. M., Safi Z. S., Elkhaldy A. A., Staples R. J., KAYA S., SERDAROĞLU G.

JOURNAL OF COMPUTATIONAL CHEMISTRY , cilt.42, sa.26, ss.1873-1884, 2021 (SCI-Expanded)

Electrochemical investigations and theoretical studies of biocompatible niacin-modified carbon paste electrode interface for electrochemical sensing of folic acid

Ganesh P., Kim S., Choi D., KAYA S., SERDAROĞLU G., Shimoga G., et al.

JOURNAL OF ANALYTICAL SCIENCE AND TECHNOLOGY , cilt.12, sa.1, 2021 (SCI-Expanded)

Application of pyrrolidinomethylcalix[4]arene coated silica adsorbent for the removal of Chicago sky blue 6B dye from water samples: Equilibrium and computational modelling studies

Junejo R., Jalbani N. S., KAYA S., ERKAN S., Ebenso E. E.

SUPRAMOLECULAR CHEMISTRY , cilt.33, sa.10, ss.586-597, 2021 (SCI-Expanded)

Multidimensional insights into the corrosion inhibition of potassium oleate on Cu in alkaline medium: A combined Experimental and theoretical investigation

Ma T., Tan B., Guo L., KAYA S., Kao Z., Zhang S., et al.

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS , cilt.272, 2021 (SCI-Expanded)

Papaver somniferum as an efficient corrosion inhibitor for iron alloy in acidic condition: DFT, MC simulation, LCMS and electrochemical studies

Haldhar R., Kim S., Prasad D., Bedair M. A., Bahadur I., KAYA S., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1242, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

Molecular modelling of compounds used for corrosion inhibition studies: a review

Ebenso E. E., Verma C., Olasunkanmi L. O., Akpan E. D., Verma D. K., Lgaz H., et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS , cilt.23, ss.19987-20027, 2021 (SCI-Expanded)

Novel antioxidant quinoxaline derivative: Synthesis, crystal structure, theoretical studies, antidiabetic activity and molecular docking study

Missioui M., Mortada S., Guerrab W., Serdaroglu G., KAYA S., Mague J. T., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1239, 2021 (SCI-Expanded)

Quantum chemical studies and electrochemical investigations of pyrogallol red modified carbon paste electrode fabrication for sensor application

Ganesh P., Shimoga G., Kim S., Lee S., KAYA S., Salim R.

MICROCHEMICAL JOURNAL , cilt.167, 2021 (SCI-Expanded)

Decyltriphenylphosphonium bromide containing hydrophobic alkyl-chain as a potential corrosion inhibitor for mild steel in sulfuric acid: Theoretical and experimental studies

Goyal M., Vashisht H., Alrefaee S. H., Jain R., Kumar S., KAYA S., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.336, 2021 (SCI-Expanded)

Investigation of plant waste as a renewable biomass source to develop efficient, economical and eco-friendly corrosion inhibitor

Haldhar R., Prasad D., Bahadur I., Dagdag O., KAYA S., Verma D. K., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.335, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

Chemical characterization and evaluation of the neuroprotective potential of Indigofera sessiliflora through in-silico studies and behavioral tests in scopolamine-induced memory compromised rats

Haider M. S., Ashraf W., Javaid S., Rasool M. F., Rahman H. M. A., Saleem H., et al.

SAUDI JOURNAL OF BIOLOGICAL SCIENCES , cilt.28, sa.8, ss.4384-4398, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

Strontium Stannate as an Alternative Anode Material for Li-Ion Batteries

Zulueta Y. A., Mut R., KAYA S., Dawson J. A., Minh Tho Nguyen M. T. N.

JOURNAL OF PHYSICAL CHEMISTRY C , cilt.125, sa.27, ss.14947-14956, 2021 (SCI-Expanded)

Thermo-magnetic properties of the screened Kratzer potential with spatially varying mass under the influence of Aharanov-Bohm(AB) and position-dependent magnetic fields

Edet C. O., Ikot A. N., Onyeaju M. C., Okorie U. S., Rampho G. J., Lekala M. L., et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.131, 2021 (SCI-Expanded)

Corrosion inhibition, surface adsorption and computational studies of Swertia chirata extract: A sustainable and green approach

Haldhar R., Prasad D., Nguyen L. T. D., KAYA S., Bahadur I., Dagdag O., et al.

MATERIALS CHEMISTRY AND PHYSICS , cilt.267, 2021 (SCI-Expanded)

Zeolite/Cellulose Acetate (ZCA) in Blend Fiber for Adsorption of Erythromycin Residue From Pharmaceutical Wastewater: Experimental and Theoretical Study

Jodeh S., Erman I., Hamed O., Massad Y., Hanbali G., Samhan S., et al.

FRONTIERS IN CHEMISTRY , cilt.9, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles

KAYA S., Chattaraj P. K., SERDAROĞLU G.

POLYHEDRON , cilt.202, 2021 (SCI-Expanded)

Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation

Boumya W., Khnifira M., Machrouhi A., Abdennouri M., Sadiq M., Achak M., et al.

Journal of Molecular Liquids , cilt.331, 2021 (SCI-Expanded)

New imidazolium ionic liquids as ecofriendly corrosion inhibitors for mild steel in hydrochloric acid (1 M): Experimental and theoretical approach

EL Hajjaji F., Salim R., Ech-chihbi E., Titi A., Messali M., KAYA S., et al.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS , cilt.123, ss.346-362, 2021 (SCI-Expanded)

Quantum Chemical Studies and Electrochemical Investigations of Polymerized Brilliant Blue-Modified Carbon Paste Electrode for In Vitro Sensing of Pharmaceutical Samples

Ganesh P., Kim S., KAYA S., Salim R., Shimoga G., Lee S.

CHEMOSENSORS , cilt.9, sa.6, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

Simulation and surface topology of activity of pyrazoloquinoline derivatives as corrosion inhibitor on the copper surfaces

Razavi R., KAYA S., Zahedifar M., Ahmadi S. A.

SCIENTIFIC REPORTS , cilt.11, sa.1, 2021 (SCI-Expanded)

Investigations of Hg(II) analysis in real samples via computational chemistry, experimental design, and green microextraction approach

Altunay N., Elik A., Demirbaş A., Kaya S., Maslov M.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS , cilt.102, sa.102, ss.104042, 2021 (SCI-Expanded)

Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study

Singh A. K., Chugh B., Singh M., Thakur S., Pani B., Guo L., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.330, 2021 (SCI-Expanded)

Investigations on some coumarin based corrosion inhibitors for mild steel in aqueous acidic medium: Electrochemical, surface morphological, density functional theory and Monte Carlo simulation approach

Verma D. K., KAYA S., Ech-chihbi E., El-Hajjaji F., Phukan M. M., Alnashiri H. M.

JOURNAL OF MOLECULAR LIQUIDS , cilt.329, 2021 (SCI-Expanded)

Ab initio Study of Hydrogen Adsorption on Metal-Decorated Borophene-Graphene Bilayer

Grishakov K. S., Katin K. P., Kochaev A. I., KAYA S., Gimaldinova M. A., Maslov M. M.

ENERGIES , cilt.14, sa.9, 2021 (SCI-Expanded)

Diversities in the chelation of aroylhydrazones towards cobalt(II) salts: Synthesis, spectral characterization, crystal structure and some theoretical studies

Mangalam N. A., Kurup M. R. P., Suresh E., KAYA S., Serdaro G.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1232, 2021 (SCI-Expanded)

Optimization of an ultrasound-assisted alcohol-based deep eutectic solvent dispersive liquid-phase microextraction for separation and preconcentration of quercetin in wine and food samples with response surface methodology

ALTUNAY N., ELİK A., ÜNAL Y., KAYA S.

JOURNAL OF SEPARATION SCIENCE , cilt.44, sa.9, ss.2006-2014, 2021 (SCI-Expanded)

Solutions of the 2D Schrodinger equation and its thermal properties for improved ultra-generalized exponential hyperbolic potential (IUGE-HP)

Ikot A. N., Edet C. O., Okorie U. S., Abdel-Aty A., Ramantswana M., Rampho G. J., et al.

EUROPEAN PHYSICAL JOURNAL PLUS , cilt.136, sa.4, 2021 (SCI-Expanded)

Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent

Chaudhary S., Chaudhary A., Rajak S. K., Kaya S., Elik M., Chakraborty T.

JOURNAL OF MATHEMATICAL CHEMISTRY , cilt.59, ss.1014-1028, 2021 (SCI-Expanded)

Sodium nitrite as a corrosion inhibitor of copper in simulated cooling water

Rizvi M., GERENGİ H., KAYA S., UYGUR İ., Yildiz M., Sarioglu I., et al.

SCIENTIFIC REPORTS , cilt.11, sa.1, 2021 (SCI-Expanded)

Illuminating of mild steel/HCI interface in the presence of 5-DAT inhibitor

Yerlikaya G., Ahmad A., FARSAK M., Kilig H. A., KARDAŞ G., KAYA S.

JOURNAL OF MOLECULAR LIQUIDS , cilt.326, 2021 (SCI-Expanded)

Experimental and theoretical study of new Schiff bases based on imidazo(1,2-a)pyridine as corrosion inhibitor of mild steel in 1M HCl

El Aatiaoui A., Koudad M., Chelfi T., ERKAN S., Azzouzi M., Aouniti A., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1226, 2021 (SCI-Expanded)

Insights into corrosion inhibition mechanism of mild steel in 1 M HCl solution by quinoxaline derivatives: electrochemical, SEM/EDAX, UV-visible, FT-IR and theoretical approaches

Ouakki M., Galai M., Benzekri Z., Verma C., Ech-chihbi E., KAYA S., et al.

Colloids and Surfaces A: Physicochemical and Engineering Aspects , cilt.611, 2021 (SCI-Expanded)

Band dispersion and optical gain calculations of staggered type GaAs0.4Sb0·6/In0.7Ga0.3As/GaAs0.4Sb0.6 nano-heterostructure under electric field and [100] strain

Riyaj M., Vijay J., Khan A., Kattayat S., KAYA S., Ahmad M. A., et al.

Superlattices and Microstructures , cilt.150, 2021 (SCI-Expanded)

Chemically modified guar gum and ethyl acrylate composite as a new corrosion inhibitor for reduction in hydrogen evolution and tubular steel corrosion protection in acidic environment

Singh A., Ansari K. R., Quraishi M. A., KAYA S., ERKAN S.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , cilt.46, sa.14, ss.9452-9465, 2021 (SCI-Expanded)

Equilibrium, thermodynamic, and density functional theory modeling studies for the removal of dichromate ions from wastewater using calix[4]arene modified silica resin

Junejo R., Jalbani N. S., Memon S., KAYA S., ERKAN S., SERDAROĞLU G., et al.

Journal of Chemical and Engineering Data , cilt.66, ss.379-388, 2021 (SCI-Expanded)

A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions

Khnifira M., Boumya W., Abdennouri M., Sadiq M., Achak M., SERDAROĞLU G., et al.

International Journal of Biological Macromolecules , cilt.166, ss.707-721, 2021 (SCI-Expanded)

Synthesis, crystal structure, hirshfeld surface analysis, spectroscopic, biological and first-principles studies of novel aminocoumarins

Bejaoui L., Brahmia A., Marzouki R., Dusek M., Eigner V., SERDAROĞLU G., et al.

Journal of Molecular Structure , cilt.1221, 2020 (SCI-Expanded)

Eco-friendly sodium gluconate and trisodium citrate inhibitors for low carbon steel in simulated cooling water system: Theoretical study and molecular dynamic simulations

SERDAROĞLU G., KAYA S., Touir R.

JOURNAL OF MOLECULAR LIQUIDS , cilt.319, 2020 (SCI-Expanded)

Evaluation of inhibitive and adsorption behavior of thiazole-4-carboxylates on mild steel corrosion in HCl

El aoufir Y., Zehra S., Lgaz H., Chaouiki A., Serrar H., Kaya S., et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS , cilt.606, 2020 (SCI-Expanded)

Why and When Is Electrophilicity Minimized? New Theorems and Guiding Rules

von S. L., KAYA S., KARAKUŞ N.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.124, sa.51, ss.10897-10908, 2020 (SCI-Expanded)

Spectrophotometric determination of aflatoxin B1 in food sample: Chemometric optimization and theoretical supports for reaction mechanisms and binding regions

ALTUNAY N., Katin K. P., GÜRSOY N., ELİK A., ŞİMŞEK S., KAYA S.

Journal of Food Composition and Analysis , cilt.94, 2020 (SCI-Expanded)

Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene

Al-Otaibi J. S., Mary Y. S., Mary Y. S., KAYA S., ERKAN S.

JOURNAL OF MOLECULAR LIQUIDS , cilt.317, 2020 (SCI-Expanded) Sürdürülebilir Kalkınma

Aminoantipyrine derivatives as a novel eco-friendly corrosion inhibitors for P110 steel in simulating acidizing environment: Experimental and computational studies

Singh A., Ansari K. R., Quraishi M. A., KAYA S., Guo L.

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING , cilt.83, 2020 (SCI-Expanded)

Theoretical insights about inhibition efficiencies of some 8-Hydroxyqionoline derivatives against the corrosion of mild steel

ÖZBAKIR IŞIN D., KARAKUŞ N., Lgaz H., KAYA S., Chung I.

MOLECULAR SIMULATION , cilt.46, sa.17, ss.1398-1404, 2020 (SCI-Expanded)

Synthesis, experimental and theoretical characterization of (E)-2-((2,3-dimethylphenyl)amino)-N '-(furan-2-ylmethylene) benzohydrazide

Albayati M. R., KANSIZ S., Lgaz H., KAYA S., DEGE N., Ali I. H., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1219, 2020 (SCI-Expanded)

Mixed ligand copper(II) chelates derived from an O, N, S- donor tridentate thiosemicarbazone: Synthesis, spectral aspects, FMO, and NBO analysis

Jacob J. M., Kurup M. R. P., Nisha K., SERDAROĞLU G., KAYA S.

POLYHEDRON , cilt.189, 2020 (SCI-Expanded)

Spectroscopic studies, molecular structure optimization and investigation of structural and electrical properties of novel and biodegradable Chitosan-GO polymer nanocomposites

Dhayal V., Hashmi S. Z., Kumar U., Choudhary B. L., Kuznetsov A. E., Dalela S., et al.

JOURNAL OF MATERIALS SCIENCE , cilt.55, sa.30, ss.14829-14847, 2020 (SCI-Expanded)

Interaction of dopants and functional groups adsorbed on the carbon fullerenes: Computational study

Salem M. A., Katin K. P., KAYA S., Kochaev A. I., Maslov M. M.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.124, 2020 (SCI-Expanded)

Effective Removal of the Direct Black-38 Dye from Wastewater Using a New Silica-Modified Resin: Equilibrium and Thermodynamics Modeling Studies

Junejo R., Memon S., KAYA S.

JOURNAL OF CHEMICAL AND ENGINEERING DATA , cilt.65, sa.10, ss.4805-4814, 2020 (SCI-Expanded)

A simple and quick ionic liquid-based ultrasonic-assisted microextraction for determination of melamine residues in dairy products: Theoretical and experimental approaches

ALTUNAY N., ELİK A., KAYA S.

Food Chemistry , cilt.326, 2020 (SCI-Expanded)

Covalent and Ionic: Bonding Characteristics of HZnCH and ZnCH(2)and Their Interconversions

Wang E. Z., Wang Y., Barnes E. C., KAYA S.

CHEMISTRYSELECT , cilt.5, sa.37, ss.11410-11419, 2020 (SCI-Expanded)

Electrochemical and Computational Investigations on the Corrosion Inhibition of X65 Steel by 2-Phenylbenzimidazole in H2SO4 Solution

Tan J., Guo L., Wu D., Duan X., Leng S., Obot I. B., et al.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE , cilt.15, sa.9, ss.8837-8848, 2020 (SCI-Expanded)

Alcohol-DES based vortex assisted homogenous liquid-liquid microextraction approach for the determination of total selenium in food samples by hydride generation AAS: Insights from theoretical and experimental studies

ALTUNAY N., ELİK A., KAYA S.

TALANTA , cilt.215, 2020 (SCI-Expanded)

Insight from adsorption properties of Xylidyl Blue embedded hydrogel for effective removal of uranyl: Experimental and theoretical approaches

Senol Z. M., ŞİMŞEK S., ULUSOY H. İ., Mahmood A., KAYA S.

POLYMER TESTING , cilt.88, 2020 (SCI-Expanded)

Cyclotriphosphazene based dendrimeric epoxy resin as an anti-corrosive material for copper in 3% NaCl: Experimental and computational demonstrations

Dagdag O., El Harfi A., Safi Z., Guo L., KAYA S., Verma C., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.308, 2020 (SCI-Expanded)

Tobacco extracted from the discarded cigarettes as an inhibitor of copper and zinc corrosion in an ASTM standard D1141-98(2013) artificial seawater solution

Singh A., Dayu X., Ituen E., Ansari K., Quraishi M. A., KAYA S., et al.

JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T , cilt.9, sa.3, ss.5161-5173, 2020 (SCI-Expanded)

Theoretically and experimentally exploring the corrosion inhibition of N80 steel by pyrazol derivatives in simulated acidizing environment

Singh A., Ansari K. R., Quraishi M. A., KAYA S.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1206, 2020 (SCI-Expanded) Sürdürülebilir Kalkınma

Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of 2-[(2,3-dimethylphenyl)amino]-N '-[(E)-thiophen-2-ylmethylidene]benzohydrazide

Albayati M. R., Kansiz S., Dege N., KAYA S., Marzouki R., Lgaz H., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1205, 2020 (SCI-Expanded)

Improved and tunable optical absorption characteristics of MQW GaAs/AlGaAs nano-scale heterostructure

Kumari B., Kattayat S., Kumar S., KAYA S., Katti A., Alvi P. A.

OPTIK , cilt.208, 2020 (SCI-Expanded)

The effect of the alkyl chain length on corrosion inhibition performances of 1,2,4-triazole-based compounds for mild steel in 1.0 M HCl: Insights from experimental and theoretical studies

El Aoufir Y., Aslam R., Lazrak F., Marzouki R., Kaya S., Skal S., et al.

Journal of Molecular Liquids , cilt.303, 2020 (SCI-Expanded)

Epoxy prepolymer as a novel anti-corrosive material for carbon steel in acidic solution: Electrochemical, surface and computational studies

Dagdag O., Safi Z., Erramli H., Wazzan N., Guo L., Verma C., et al.

MATERIALS TODAY COMMUNICATIONS , cilt.22, 2020 (SCI-Expanded)

Electrochemical and Computational Studies on the Corrosion Inhibition of Mild Steel by 1-Hexadecyl-3-methylimidazolium Bromide in HCl Medium

Tan J., Guo L., Wu D., Wang S., Yu R., Zhang F., et al.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE , cilt.15, sa.3, ss.1893-1903, 2020 (SCI-Expanded)

Improvement in efficiency of yellow Light Emitting Diode using InGaN barriers and modified electron injection layer

Ahmad S., Kumar S., KAYA S., Alvi P. A., Siddiqui M. J.

OPTIK , cilt.206, 2020 (SCI-Expanded)

Uniaxial ultra-high pressure dependent tuning of optical gain of W-shaped Type-II GaAsSb/InGaAs/InAlAs nano-heterostructure

Khan M. I., Khan A. M., Kattayat S., Bhardwaj G., KAYA S., Dalela S., et al.

OPTIK , cilt.204, 2020 (SCI-Expanded)

Triblock Copolymer Pluronic F68 as a Corrosion Inhibitor for Aluminum-air Battery: An Electrochemical and in Silico Study

Guo L., Tan J., Yang H., El Bakri Y., KAYA S., Leng S., et al.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE , cilt.14, sa.12, ss.11480-11490, 2019 (SCI-Expanded)

Multidimensional insights involving electrochemical and in silico investigation into the corrosion inhibition of newly synthesized pyrazolotriazole derivatives on carbon steel in a HCl solution

Guo L., El Bakri Y., Anouar E. H., Tan J., KAYA S., Essassi E. M.

RSC ADVANCES , cilt.9, sa.60, ss.34761-34771, 2019 (SCI-Expanded)

The Reactivity of Ambident Nucleophiles: Marcus Theory or Hard and Soft Acids and Bases Principle?

Wang Y., Barnes E. C., KAYA S., Sharma V.

JOURNAL OF COMPUTATIONAL CHEMISTRY , cilt.40, sa.31, ss.2761-2777, 2019 (SCI-Expanded) Sürdürülebilir Kalkınma

The effect of an N- heterocyclic compound on corrosion inhibition of J55 steel in sweet corrosive medium

Singh A., Ansari K. R., Quraishi M. A., KAYA S., Banerjee P.

NEW JOURNAL OF CHEMISTRY , cilt.43, sa.16, ss.6303-6313, 2019 (SCI-Expanded)

In situ synthesis, electrochemical, surface morphological, UV-visible, DFT and Monte Carlo simulations of novel 5-substituted-8-hydroxyquinoline for corrosion protection of carbon steel in a hydrochloric acid solution

El Faydy M., Lakhrissi B., Guenbour A., Kaya S., Bentiss F., Warad I., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.280, ss.341-359, 2019 (SCI-Expanded)

On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride

Chamorro E., Duque-Norena M., KAYA S., Rincon E., Perez P.

JOURNAL OF MOLECULAR MODELING , cilt.24, sa.10, 2018 (SCI-Expanded)

Quantum Chemical Studies on the Corrosion Inhibition of Fe78B13Si9 glassy alloy in Na2SO4 Solution of Some Thiosemicarbazone Derivatives

SARAÇOĞLU M., Elusta M. I. A., KAYA S., KAYA C., KANDEMİRLİ F.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE , cilt.13, sa.8, ss.8241-8259, 2018 (SCI-Expanded)

Quantum chemical calculations, molecular dynamic (MD) simulations and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 2: Bis-azo dye derivatives

Madkour L. H., KAYA S., Guo L., KAYA C.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1163, ss.397-417, 2018 (SCI-Expanded)

Computational, Monte Carlo simulation and experimental studies of some arylazotriazoles (AATR) and their copper complexes in corrosion inhibition process

Madkour L. H., KAYA S., Obot I. B.

JOURNAL OF MOLECULAR LIQUIDS , cilt.260, ss.351-374, 2018 (SCI-Expanded)

Relationships between lattice energies of inorganic ionic solids

KAYA S.

PHYSICA B-CONDENSED MATTER , cilt.538, ss.25-28, 2018 (SCI-Expanded)

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

Guo L., Safi Z. S., KAYA S., Shi W., TÜZÜN B., ALTUNAY N., et al.

FRONTIERS IN CHEMISTRY , cilt.6, 2018 (SCI-Expanded)

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

Vennila P., Govindaraju M., Venkatesh G., Kamal C., Mary Y. S., Panicker C. Y., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1151, ss.245-255, 2018 (SCI-Expanded)

Absolute ion hydration enthalpies from absolute hardness and some VBT relationships

KAYA S., de Farias R. F.

CHEMICAL PHYSICS LETTERS , cilt.691, ss.169-171, 2018 (SCI-Expanded)

Chemical hardness-based prediction of the surface tension and enthalpy changes of sublimation for alkali halides

KAYA S.

MOLECULAR PHYSICS , cilt.116, sa.13, ss.1677-1681, 2018 (SCI-Expanded)

Anticorrosion potential of domperidone on copper in different concentration of hydrochloric acid solution

Zhou Y., Guo L., Zhao Z., Zheng S., Xu Y., Xiang B., et al.

JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY , cilt.32, sa.13, ss.1485-1502, 2018 (SCI-Expanded)

Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation

Guo L., KAYA S., Obot I. B., Zheng X., Qiang Y.

JOURNAL OF COLLOID AND INTERFACE SCIENCE , cilt.506, ss.478-485, 2017 (SCI-Expanded)

Structural, spectral, DFT and biological studies on macrocyclic mononuclear ruthenium (II) complexes

Muthukkumar M., Kamal C., Venkatesh G., Kaya C., Kaya S., Enoch I. V. M. V., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1147, ss.502-514, 2017 (SCI-Expanded)

Specific Adsorption of Halide Ions on Iron Surface: A Combined Electrochemical and Monte Carlo Simulation Investigation

Guo L., Ou Y., Shen X., KAYA S., Shi W., Zhang R., et al.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE , cilt.12, sa.8, ss.7064-7074, 2017 (SCI-Expanded)

Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

Guo L., Obot I. B., Zheng X., Shen X., Qiang Y., KAYA S., et al.

APPLIED SURFACE SCIENCE , cilt.406, ss.301-306, 2017 (SCI-Expanded)

A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron

ERDOĞAN Ş., Safi Z. S., KAYA S., ÖZBAKIR IŞIN D., Guo L., KAYA C.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1134, ss.751-761, 2017 (SCI-Expanded)

New insights from the relation between lattice energy and bond stretching force constant in simple ionic compounds

KAYA S., Chamorro E., Petrov D., KAYA C.

POLYHEDRON , cilt.123, ss.411-418, 2017 (SCI-Expanded)

A novel lattice energy calculation technique for simple inorganic crystals

KAYA C., KAYA S., Banerjee P.

PHYSICA B-CONDENSED MATTER , cilt.504, ss.127-132, 2017 (SCI-Expanded)

An alternative approach on the calculation of cohesive energy density and isothermal compressibility of alkali metal halides

KAYA S., KAYA C.

MOLECULAR PHYSICS , cilt.115, sa.24, ss.3136-3142, 2017 (SCI-Expanded)

Corrosion control of mild steel in 0.1 M H2SO4 solution by benzimidazole and its derivatives: an experimental and theoretical study

Zhou Y., Guo L., Zhang S., KAYA S., Luo X., Xiang B.

RSC ADVANCES , cilt.7, sa.39, ss.23961-23969, 2017 (SCI-Expanded)

Fluorescence of UV-excited LiPrP4O12 and LiTmP4O12 single crystals

Petrov D. N., Kaya S., Eftimov T.

OPTIK , cilt.136, ss.12-19, 2017 (SCI-Expanded)

Structural, electronic and optical properties of 2,5-dichloro-p-xylene: experimental and theoretical calculations using DFT method

Venkatesh G., Govindaraju M., Kamal C., Vennila P., Kaya S.

RSC ADVANCES , cilt.7, sa.3, ss.1401-1412, 2017 (SCI-Expanded)

Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method

Guo L., Qi C., Zheng X., Zhang R., Shen X., KAYA S.

RSC ADVANCES , cilt.7, sa.46, ss.29042-29050, 2017 (SCI-Expanded)

Quantum chemical calculations, molecular dynamics simulation and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 1: Mono-azo dye derivatives

Madkour L. H., KAYA S., KAYA C., Guo L.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS , cilt.68, ss.461-480, 2016 (SCI-Expanded)

Theoretical modeling and molecular level insights into the corrosion inhibition activity of 2-amino-1,3,4-thiadiazole and its 5-alkyl derivatives

Wazzan N. A., Obot I. B., KAYA S.

JOURNAL OF MOLECULAR LIQUIDS , cilt.221, ss.579-602, 2016 (SCI-Expanded)

Experimental and theoretical studies for mild steel corrosion inhibition in 1.0 M HCl by three new quinoxalinone derivatives

Tazouti A., Galai M., Touir R., Touhami M. E., Zarrouk A., Ramli Y., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.221, ss.815-832, 2016 (SCI-Expanded)

Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron

KAYA S., Guo L., KAYA C., TÜZÜN B., Obot I. B., Touir R., et al.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS , cilt.65, ss.522-529, 2016 (SCI-Expanded)

Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

KAYA S., KAYA C., Guo L., KANDEMİRLİ F., TÜZÜN B., Ugurlu I., et al.

JOURNAL OF MOLECULAR LIQUIDS , cilt.219, ss.497-504, 2016 (SCI-Expanded)

Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion

Obot I. B., KAYA S., KAYA C., TÜZÜN B.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.80, ss.82-90, 2016 (SCI-Expanded)

Reply to the "Comment on "A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity" by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42-46]"

KAYA S., KAYA C., Islam N.

COMPUTATIONAL AND THEORETICAL CHEMISTRY , cilt.1083, ss.75-76, 2016 (SCI-Expanded)

Theoretical evaluation of triazine derivatives as steel corrosion inhibitors: DFT and Monte Carlo simulation approaches

Obot I. B., KAYA S., KAYA C., TÜZÜN B.

RESEARCH ON CHEMICAL INTERMEDIATES , cilt.42, sa.5, ss.4963-4983, 2016 (SCI-Expanded)

The nucleophilicity equalization principle and new algorithms for the evaluation of molecular nucleophilicity

KAYA S., KAYA C., Islam N.

COMPUTATIONAL AND THEORETICAL CHEMISTRY , cilt.1080, ss.72-78, 2016 (SCI-Expanded)

Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds

KAYA S., KAYA C., Islam N.

PHYSICA B-CONDENSED MATTER , cilt.485, ss.60-66, 2016 (SCI-Expanded)

A novel method for the calculation of bond stretching force constants of diatomic molecules

KAYA S., Kaya C., Obot I. B., Islam N.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.154, ss.103-107, 2016 (SCI-Expanded)

Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study

KAYA S., TÜZÜN B., KAYA C., Obot I. B.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS , cilt.58, ss.528-535, 2016 (SCI-Expanded)

Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches

KAYA S., Banerjee P., Saha S. K., TÜZÜN B., KAYA C.

RSC ADVANCES , cilt.6, sa.78, ss.74550-74559, 2016 (SCI-Expanded)

A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness

KAYA S., KAYA C.

INORGANIC CHEMISTRY , cilt.54, sa.17, ss.8207-8213, 2015 (SCI-Expanded)

A new equation for calculation of chemical hardness of groups and molecules

KAYA S., KAYA C.

MOLECULAR PHYSICS , cilt.113, sa.11, ss.1311-1319, 2015 (SCI-Expanded)

A new method for calculation of molecular hardness: A theoretical study

KAYA S., KAYA C.

COMPUTATIONAL AND THEORETICAL CHEMISTRY , cilt.1060, ss.66-70, 2015 (SCI-Expanded)

A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity

KAYA S., KAYA C.

COMPUTATIONAL AND THEORETICAL CHEMISTRY , cilt.1052, ss.42-46, 2015 (SCI-Expanded)

Diğer Dergilerde Yayınlanan Makaleler

Evaluation of the interactions of the Sunitinib malate with topoisomerase enzymes by in vitro enzyme and molecular docking analyses

HİÇYILMAZ A. M., NERGİZ K., CANTÜRK P., BERISHA A., KAYA S.

Maghrebian Journal of Pure and Applied Science , cilt.9, sa.1, ss.13-22, 2023 (Hakemli Dergi)

A Density Functional Theory (DFT) based Analysis on the Inhibition Performances of Some Triazole Derivatives for Iron Corrosion

KARAKUS N., Kaya S.

Cumhuriyet Science Journal , cilt.44, sa.3, ss.491-496, 2023 (Hakemli Dergi)

New Xanthene Diones Compounds as a Corrosion Inhibitor of Mild Steel in Acid Medium: Electrochemical, Surface Characterization and Theoretical Insights

Dahmani K., Galai M., Ouakki M., Benzekri Z., El Magri A., lachhab R., et al.

Chemistry Africa , cilt.6, sa.4, ss.2049-2069, 2023 (Scopus)

Introduction to Chemical Reactivity

von Szentpály L., KAYA S.

Chemical Reactivity: Volume 1: Theories and Principles , cilt.1, 2023 (Scopus)

A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface

Khnifira M., Boumya W., Attarki J., Mahsoune A., Sadiq M., Abdennouri M., et al.

Chemical Physics Impact , cilt.5, 2022 (Scopus)

Sustainable corrosion inhibitor for steel embedded in concrete by Guar Gum: Electrochemical and theoretical analyses

Venkatesh G., Kamal C., Vennila P., KAYA S., Annaamalai M., Ibrahimi B. E.

Applied Surface Science Advances , cilt.12, 2022 (Scopus)

Corrosion behaviour of new oxo-pyrimidine derivatives on mild steel in acidic media: Experimental, surface characterization, theoretical, and Monte Carlo studies

Ferigita K. S. M., AlFalah M. G. K., SARAÇOĞLU M., KÖKBUDAK Z., KAYA S., Alaghani M. O. A., et al.

APPLIED SURFACE SCIENCE ADVANCES , cilt.7, 2022 (ESCI)

New and Green Corrosion Inhibitor Based on New Imidazole Derivate for Carbon Steel in 1 M HCl Medium: Experimental and Theoretical Analyses

Berdimurodov E., Kholikov A., Akbarov K., Guo L., KAYA S., Verma D. K., et al.

INTERNATIONAL JOURNAL OF ENGINEERING RESEARCH IN AFRICA , cilt.58, ss.11-44, 2022 (ESCI)

Crystal structure and Hirshfeld surface analysis of 2-(2-oxo-3-phenyl-1,2,3,8a-tetrahydroquinoxalin-1-yl)ethyl acetate

Abad N., El Ghayati L., Mubengayi C. K., Essassi E. M., KAYA S., Mague J. T., et al.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS , cilt.77, ss.643-651, 2021 (ESCI)

Corrosion inhibition, surface adsorption and computational studies of Momordica charantia extract: a sustainable and green approach

Haldhar R., Prasad D., Kamboj D., KAYA S., Dagdag O., Guo L.

SN APPLIED SCIENCES , cilt.3, sa.1, 2021 (ESCI)

All-nitrogen cages and molecular crystals: Topological rules, stability, and pyrolysis paths

Katin K. P., Merinov V. B., Kochaev A. I., KAYA S., Maslov M. M.

Computation , cilt.8, sa.4, ss.1-13, 2020 (ESCI)

Anti-corrosion Properties of 2-Phenyl-4(3H)-quinazolinone-Substituted Compounds: Electrochemical, Quantum Chemical, Monte Carlo, and Molecular Dynamic Simulation Investigation

Kacimi Y. E., Touir R., Alaoui K., KAYA S., Abousalem A. S., Ouakki M., et al.

Journal of Bio- and Tribo-Corrosion , cilt.6, sa.2, 2020 (Scopus)

New triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure

Alaoui K., El Kacimi Y., Galai M., Serrar H., Touir R., KAYA S., et al.

INTERNATIONAL JOURNAL OF INDUSTRIAL CHEMISTRY , cilt.11, sa.1, ss.23-42, 2020 (ESCI)

Effect of substitution on corrosion inhibition properties of three Imidazole derivatives on mild steel in 1M HCl

Bouklah M., Elmsellem H., Krim O., SERDAROĞLU G., B H., Elidrissi A., et al.

Arabian Journal of Chemical and Environmental Researches , cilt.7, sa.2, ss.126-143, 2020 (Hakemli Dergi)

Electrochemical and Computational Studies of Some Triazepine Carboxylate Compounds as Acid Corrosion Inhibitors for Mild Steel

KA A., touir r., GALAI M., MOUHSINE H., OUAKKI M., KAYA S., et al.

Journal of Bio- and Tribo-Corrosion , cilt.4, sa.3, ss.1-18, 2018 (Scopus)

Lattice Energies for Groups 1 and 2 Halides from Absolute Hardness

FERNANDES DE FARIAS R., KAYA S.

Cumhuriyet Science Journal , ss.192-195, 2018 (Hakemli Dergi)

Experimental and MDS studies of corrosion inhibition of carbon steel by saccharinate sodium

El Jaouhari A., KAYA S., Ben Jadi S., Aouzal Z., Bouabdellaoui M., Bazzaoui E. A., et al.

SURFACES AND INTERFACES , cilt.10, ss.11-18, 2018 (ESCI)

Lattice Energies from Hydration Enthalpies: Some acid-base and Structural Considerations

KAYA S., DE FARIAS R. F.

International Journal of Advanced Engineering Research and Science , cilt.5, sa.8, ss.317-323, 2018 (Hakemli Dergi)

Corrosion inhibition studies for mild steel in 5.0 M HCl by substituted phenyltetrazole

El Kacimi Y., Azaroual M. A., Touir R., Galai M., Alaoui K., Sfaira M., et al.

EURO-MEDITERRANEAN JOURNAL FOR ENVIRONMENTAL INTEGRATION , cilt.2, sa.1, 2017 (ESCI)

Conceptual Density Functional Theoretical Investigation of the Corrosion Inhibition Efficiencies of Some Molecules Containing Mercapto (-SH) Group

KAYA S., TÜZÜN B., KAYA C.

Current Physical Chemistry , cilt.7, sa.2, ss.147-153, 2017 (Hakemli Dergi)

Effect of Molecular Hardness on Ionic Characters, Bond Lengths, Bond Force Constants and Melting Points of Alkali Halides

KAYA S., KAYA C., UĞURLU İ.

Current Physical Chemistry , cilt.7, sa.2, ss.159-164, 2017 (Hakemli Dergi)

Theoretical Investigation of Corrosion Inhibition of Iron Metal by Some Benzothiazole Derivatives: A Monte Carlo Study

Altunay N., Kaya S.

Journal of the Turkish Chemical Society, Section A: Chemistry , cilt.4, sa.2, ss.97-102, 2017 (Hakemli Dergi)

Validation of the Charge Equalization Principles during the Formation of Small Molecules

KAYA S., KAYA C., ISLAM N., OBOT I. B.

Hacettepe Journal of Biology and Chemistry , cilt.1, sa.45, ss.55-66, 2017 (Hakemli Dergi)

Comments on Electronegativity Equalization with Pauling Units

KAYA S., KAYA C.

Current Physical Chemistry , cilt.7, sa.2, ss.154-158, 2016 (Hakemli Dergi)

A Useful Method for the Prediction of Molecular Electrophilicity and Nucleophilicity

KAYA S., KAYA C., UĞURLU İ., ISLAM N.

Journal of the Turkish Chemical Society, Section A: Chemistry , cilt.3, sa.2, ss.89-102, 2016 (Hakemli Dergi)

Derivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series

KAYA S., KAYA C.

Journal of Physical and Theoretical Chemistry , ss.155-163, 2015 (Hakemli Dergi)

Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity

KAYA S., KAYA C.

Journal of Physical and Theoretical Chemistry , ss.1-13, 2014 (Hakemli Dergi)

EFFECT OF SOME ELECTRON DONOR AND ELECTRON ACCEPTOR GROUPS ON STABILITY OF COMPLEXES ACCORDING TO THE PRINCIPLE OF HSAB

KAYA S., ERKAN KARİPER S., ÜNGÖRDÜ A.

journal of new results in science , cilt.4, ss.82-89, 2014 (Hakemli Dergi)

EFFECT OF SOME ELECTRON DONOR AND ELECTRON ACCEPTOR GROUPS ON STABILITY OF COMPLEXES ACCORDING TO THE PRINCIPLE OF HSAB

KAYA S., KAYA C., ERKAN KARİPER S., ÜNGÖRDÜ A.

JOURNAL OF NEW RESULTS IN SCIENCE , ss.82-89, 2014 (Hakemli Dergi)

Hakemli Kongre / Sempozyum Bildiri Kitaplarında Yer Alan Yayınlar

EFFECT OF HETEROCYCLIC COMPOUNDS CONTAINING AZOMETHINE GROUP ON OXIDATIVE STRESS AND DNA REPAIR GENE PROFILES IN NEUROBLASTOMA CELL LINES: In Silico and In Vitro ANALYSIS

CINAR G., AĞBEKTAŞ T., Huseynzada A., Gunel A., Mirjavid A., Hasanova U., et al.

Internatiol Conference on Physical Chemistry/Functional Materials (PCMF22), Türkiye, 23 Haziran 2022

THE EFFECT OF AZOMETINE GROUP COMPOUNDS CONTAINING SCHİFF BASE ON EXPRESSION PROFILES OF GENES INVOLVED IN WNT AND MAPK PATHWAY IN LUNG CANCER CELL LINES: In Silico and In Vitro ANALYSIS

AĞBEKTAŞ T., ZONTUL C., ÖZTÜRK A., Huseynzada A., Ganbarova R., Hasanova U., et al.

Internatiol Conference on Physical Chemistry/Functional Materials (PCMF22), Türkiye, 23 Haziran 2022

Evaluation of Anticancer, Antimicrobial, Antibiofilm Activity and Molecular Docking Study of Ethanol Extracts of Abies Cilicia (Antoine & Kotschy) Carrière) Resin

TAŞ A., GÜÇLÜ G., DİNÇER E., UÇAR SÖZMEN E., DURAL E., KAYA S., et al.

5 th International Conference on Physical Chemistry & Functional Materials, Sivas, Türkiye, 23 Haziran 2022

A THEORETICAL AND COMPUTATIONAL INSIGHT ON THE TOXICITY OF THE ORGANIC CHEMICALS

SERDAROĞLU G., KAYA S.

The Third Edition of The International Congress On Water And Environment Studies, Morocco, Fas, 10 Aralık 2020

The substituent effect on chemical reactivity of (9H-pyrido[3,4-b]indol-3-yl)methanol: Spectroscopic and electronic investigation

SERDAROĞLU G., KAYA S.

International Virtual Conference on Materials and Environmental Science, Fas, 18 Kasım 2020

The metal chelation effect on the chemical reactivity of the (E)-2-(2-(pyridin-2-ylmethylene) hydrazineyl) phenol: Theoretical and computational investigation

Kaya S., Serdaroğlu G., Merimi İ.

4th Edition of the International Virtual Conference on Materials & Environmental Science, 18 - 27 Kasım 2020, ss.15-21

The substituent effect on chemical reactivity of (9H-pyrido[3,4-b]indole-3-yl)methanol: Spectroscopic and electronic investigation

SERDAROĞLU G., KAYA S.

4th Edition of the International Virtual Conference on Materials & Environmental Science, Morocco, Fas, 18 - 27 Kasım 2020

Electrochemical and theoretical study of the behaviour of a Carbon steel in HCl medium by some triazole type compounds

Merimi İ., B H., Merimi C., SZUMIATA T., SERDAROĞLU G., KAYA S.

4th Edition of the International Virtual Conference on Materials & Environmental Science, Morocco, Fas, 18 Kasım 2020

New Developments on the Application Maximum Entropy Principle: A Theoretical Study

SERDAROĞLU G., KAYA S.

5nd International Conference on Material Science and Technology, Kapadokya, Türkiye, 16 Ekim 2020, cilt.5, ss.281

A NEW EQUATION TO CALCULATE THE CHEMICAL HARDNESS OF THE MOLECULES

KAYA S., SERDAROĞLU G., Katin K. P.

5nd International Conference on Material Science and Technology, Kapadokya, Türkiye, 16 Ekim 2020, cilt.5, ss.282

A triazolopyrimidine derivative as corrosion inhibitor for mild steel in HCl solution

Guo L., Yu R., Zhao J., Kaya S., Tan J., El Bakri Y.

2nd International Symposium on Mechanics, Structures and Materials Science, MSMS 2020, Tianjin City, Çin, 28 - 29 Mart 2020, cilt.2258

Quantum chemical calculations of chitosan as a green and efficient corrosion inhibitor on copper surface

BOURZI H., OUKHRIB R., HICHAM A., KAYA S., ISSAMI E., BAZZI L.

International Conference on Green Chemistry and Sustainable Engineering, 23 - 25 Temmuz 2018

Eser Analizde Sert ve Yumuşak Asit-Baz Yaklaşımının (HSAB) Önemi

KAYA S.

International Trace Analysis Congress, Türkiye, 20 - 23 Haziran 2018

Influence of the Alkyl Chain Length of Alkyltriazoles on the Corrosion Inhibition of Iron: A DFTB Study

Guo L., Wu M., KAYA S., Chen M., Madkoure L. H.

International Symposium on Mechanics, Structures and Materials Science (MSMS), Tianjin, Çin, 9 - 10 Haziran 2018, cilt.1995

dft modeling and monte carlo simulation assessment of inhibition performance of some carbohydrazide schiff bases for stell corrosion

TÜZÜN B., KAYA S.

international conference on techonology, engineering and science, 26 - 29 Ekim 2017

determination of corrosion inhibition effets of amino acids:quantum chemical and molecular dynamic simulation study

TÜZÜN B., KAYA S., KAYA C.

2nd international gazi symposium series, 11 - 13 Ekim 2017

quantum chemical simulation studies on ihbition performances of some thiazole and thiadiazole derivatives against corrosion of iron

TÜZÜN B., KAYA S., KAYA C.

2nd international gazi symposium series, 11 - 13 Ekim 2017

investigation via principal component analysis dft and molecular dynamics simulations approaches on the anticorrosive effect of some thiophene derivatives against the corrosion of iron

TÜZÜN B., KAYA S.

international congress on chemistry and materials science, 5 - 07 Ekim 2017

theoretical evaluation of triazine derivatives as stell corrosion inhibitors monte carlo simulation approache

TÜZÜN B., KAYA S., KAYA C.

3. international turkish congress on molecular spectroscopy, 26 - 29 Ağustos 2017

Some New Applications in Solid State Chemistry of Chemical Hardness and Molar Volume Concepts

KAYA S., KAYA C.

28. Ulusal Kimya Kongresi, Türkiye, 15 - 21 Ağustos 2016

İyonik Katılarda Örgü Enerjisi, Kohezif Enerji ve Mutlak Elektronegatiflik İlişkisinin İncelenmesi

KAYA S., KAYA C.

5. ULUSAL ANORGANİK KİMYA KONGRESİ, Türkiye, 22 - 25 Nisan 2015

İyonik Kristallerin Örgü Enerjilerinin Hesaplanması İçin Yeni Bir Metot

KAYA S., KAYA C.

5. ULUSAL ANORGANİK KİMYA KONGRESİ, Türkiye, 22 - 25 Nisan 2015

A new method for Calculation of Molecular Hardness

KAYA S., KAYA C.

International Symposium on Molecular Chemistry, 19 Aralık 2014

Kimyasal Sertliğin Kimyadaki Uygulamaları, Grup ve Moleküllerin Kimyasal Sertliğinin Hesaplanması için Yeni Bir Denklem

KAYA S., KAYA C.

IV. Fiziksel Kimya Kongresi, Türkiye, 5 - 08 Haziran 2014

Bazı iki dişli Schiff baz ligandlarının bakır(II) komplekslerinin hesaplamalı yöntemlerle yapısal analizi

ERKAN KARİPER S., KAYA S., KARAKAŞ D.

IV Ulusal Anorganik Kimya Kongresi, Türkiye, 30 Mayıs - 02 Haziran 2013

İzoelektronik Serilerde Kimyasal Sertlik, Katyonların İyonlaşma Enerjisi ve Elektron İlgilerinin Hesaplanması

KAYA S., KAYA C.

IV. Ulusal Anorganik Kimya Kongresi, Türkiye, 30 Mayıs - 02 Haziran 2013

Metrikler

Yayın

293

Atıf (WoS)

3502

H-İndeks (WoS)

Atıf (Scopus)

6243

H-İndeks (Scopus)

Proje

Açık Erişim

BM Sürdürülebilir Kalkınma Amaçları

Yayınlar & Eserler

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler