Yayınlar & Eserler

Yayın Ağı
Makaleler 269
Tümü (269)
SCI-E, SSCI, AHCI (238)
SCI-E, SSCI, AHCI, ESCI (251)
ESCI (10)
Scopus (253)
TRDizin (5)
Diğer Yayınlar (10)

1. Constructing oxygen vacancy enriched ZnWO4/Ag-doped In2S3 visible light active S-scheme heterojunction with improved charge migration for doxycycline hydrochloride degradation in wastewater

Soni V., Sonu S., Singh P., Ahamad T., Katin K. P., KAYA S., et al.
Colloids and Surfaces A: Physicochemical and Engineering Aspects , cilt.727, 2025 (SCI-Expanded) identifier

2. Property prediction from structural differences: III. Van der Waals volumes of organic compounds

KAYA S., ÖZBAKIR IŞIN D.
Journal of Molecular Liquids , cilt.439, 2025 (SCI-Expanded, Scopus) identifier

3. A novel approach to prepare a composite of hydroxyapatite with cellulose nanocomposites by novel methods including theoretical studies

Azzaoui K., Aaddouz M., Jodeh S., Hammouti B., Hanbali G., Sabbahi R., et al.
Scientific Reports , cilt.15, sa.1, 2025 (SCI-Expanded) identifier identifier

4. Tuning the solvation structure of zinc ions via urea enables long-cycling alkaline zinc‑manganese flow batteries

Guo L., Sun R., Adam A. M. M., Leng S., Qu M., KAYA S., et al.
Journal of Electroanalytical Chemistry , cilt.995, 2025 (SCI-Expanded) identifier

5. Emergence of single atom catalyst and metallic organic frameworks (MOF) derived photocatalytic systems for CO2 conversion into C1 value added products

Panwar A., Soni V., Sambyal S., Raizada P., Singh P., KAYA S., et al.
Journal of Environmental Chemical Engineering , cilt.13, sa.5, 2025 (SCI-Expanded) identifier

6. Synergy between dual Z-scheme heterostructured Vo-Bi2WO6/Bi2S3/Ag2S@Chitosan for the effective degradation of fuchsin basic dye

Sharma K., Sonu S., Singh P., Ahmad T., KAYA S., Katin K. P., et al.
Journal of the Taiwan Institute of Chemical Engineers , cilt.175, 2025 (SCI-Expanded) identifier

7. Strategic core engineering of benzo[c][1,2,5]thiadiazole–4-alkoxythiazole donors: A pathway to low band gap photovoltaic materials

Nebbach D., Agda F., Lgaz H., Aldalbahi A., Azaid A., KAYA S., et al.
Journal of Solid State Chemistry , cilt.350, 2025 (SCI-Expanded) identifier

8. Recent advancements in sustainable CO2 conversion utilizing black TiO2-based photocatalysts

Sambyal S., Sudhaik A., Sonu S., Raizada P., Singh A., Nguyen V., et al.
Journal of Materials Science , cilt.60, sa.34, ss.14908-14937, 2025 (SCI-Expanded) identifier

9. Emerging bismuth stannate semiconductor and its photocatalytic applications in pollutant degradation via Z/S-scheme heterostructures

Tarannum T., Soni V., Malhotra M., Singh A., Chaudhary V., Singh P., et al.
Environmental Research , cilt.279, 2025 (SCI-Expanded) identifier identifier

10. Regulating the Helmholtz Plane by Biomass Carbon Quantum Dots for Effective Corrosion Control of Mild Steel

Guo L., Zhu L., Tan Y., Obot I. B., Wang K., KAYA S., et al.
Industrial and Engineering Chemistry Research , cilt.64, sa.32, ss.15672-15685, 2025 (SCI-Expanded) identifier

11. On the effect of conceptual density functional theoretical descriptors in the inhibition of acetylcholinesterase enzyme: Gallic acid derivatives

Sönmez Gürer E., Kaya S., Berisha A., Morales-Bayuelo A.
JOURNAL OF THE INDIAN CHEMICAL SOCIETY , cilt.102, sa.8, ss.1-8, 2025 (SCI-Expanded) identifier

12. Computational exploration of a chlorinated tetrahydroisoquinoline: Geometry, reactivity, noncovalent interactions, and molecular docking evaluation

Messali M., Jhaa G., Alrashdi A. A., Lee H., KAYA S., Sabik A., et al.
Results in Physics , cilt.75, 2025 (SCI-Expanded) identifier

13. Preparation and characterization of a novel deacetylated chitin @perlite/hydroxyapatite composite for effective adsorption of uranyl ions from aqueous solution: Experimental and DFT modeling studies

Billah R. E. K., ŞİMŞEK S., Majdoubi H., Bütün Y., KAYA S., Lopez-Maldonado E. A., et al.
Chemical Physics Letters , cilt.869, 2025 (SCI-Expanded) identifier

14. Covalently Bonded 1D Chains and 2D Networks From Si-Doped CL-20: Computational Study

Gimaldinova M. A., Maslov M. M., KAYA S., Katin K. P.
Journal of Cluster Science , cilt.36, sa.3, 2025 (SCI-Expanded) identifier

15. Computational evaluation of Ni@B12N12 and Ti@B12N12 endohedral clusters as carriers for melphalan and sulforaphane anticancer drugs

SÖNMEZ GÜRER E., KAYA S., Katin K. P.
Journal of Molecular Liquids , cilt.427, 2025 (SCI-Expanded) identifier

16. Importance of electronic and steric effects on proton tunneling dynamics of 2-substituted Malonaldehyde: A computational approach

Nanni L., KAYA S.
Computational and Theoretical Chemistry , cilt.1248, 2025 (SCI-Expanded) identifier

17. Theoretical prediction of corrosion inhibition by ionic liquid derivatives: a DFT and molecular dynamics approach

Omari Alaoui A., Elfalleh W., Hammouti B., Titi A., Messali M., KAYA S., et al.
RSC Advances , cilt.15, sa.16, ss.12645-12652, 2025 (SCI-Expanded) identifier identifier

18. Effects of ball-type phthalocyanines on inhibition of tyrosinase enzyme and antioxidant activity: Experimental and computational studies

Yabaş E., Uçar-Sözmen E., Ülger Özbek D., Katin K. P., Kaya S.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES , cilt.29, sa.03n04, ss.400-407, 2025 (SCI-Expanded) identifier

19. Electronic Characteristics of Layered Heterostructures Based on Graphene and Two-Dimensional Perovskites: First-Principle Study

Zubkov L., Kulyamin P., Grishakov K., KAYA S., Katin K., Maslov M.
Colloids and Interfaces , cilt.9, sa.2, 2025 (ESCI) identifier

20. Experimental and theoretical insights to enhanced inhibition of copper corrosion in a typical pickling environment by polyethylene oxide-b-polypropylene oxide copolymer-based hybrid inhibitor

Solomon M. M., Umoren S. A., Ogunlakin N. O., Umoren P. S., He J., Hu D., et al.
Journal of Environmental Chemical Engineering , cilt.13, sa.2, 2025 (SCI-Expanded) identifier

21. Illumination of biosorption of Allura Red on Rhus coriaria L. (sumac) plant: equilibrium, kinetic, thermodynamic, and density functional theory–based analyses

Çaylak O., Çetintaş H. İ., Çelik M. S., Kaya N., Çetinkaya S., Maslov M. M., et al.
Biomass Conversion and Biorefinery , cilt.15, sa.8, ss.11701-11717, 2025 (SCI-Expanded) Sürdürülebilir Kalkınma identifier

22. Experimental, density functional theory, molecular docking and ADMET analyses on the role of different plant extracts of Aronia melanocarpa (Michx) Elliot species on acetylcholinesterase enzyme activity

Gürer E. S., Yıldırım Ş., Koçyiğit Ü. M., Berisha A., Kaya S.
Journal of Molecular Structure , cilt.1321, 2025 (SCI-Expanded) identifier

23. Effective removal of methylene blue dye from aqueous solution using Macrolepiota procera mushroom: Experimental and theoretical studies

Eyupoglu V., Akin M. B., Kaya S., Çaylak O., Berisha A., Çetinkaya S.
Journal of Molecular Liquids , cilt.418, 2025 (SCI-Expanded) identifier

24. Caging the uranyl ion: quantum insights into cryptophane-111 hosting

Berisha A., KAYA S.
Molecular Physics , 2025 (SCI-Expanded, Scopus) identifier

25. Utilizing olive leaves as a rich source of multifunctional bioactive compounds to fight oxidative stress, Alzheimer’s disease, diabetes, and cancer using in vitro, in silico, and bioinformatics techniques

Gunes A., Nilofar N., Bahadirli P., Santanatoglia A., Caprioli G., Sagratini G., et al.
Zeitschrift fur Naturforschung - Section C Journal of Biosciences , 2025 (SCI-Expanded, Scopus) identifier identifier

26. DFT ANALYSIS OF FENETHYLLINE (CAPTAGON): INVESTIGATING ITS INTERACTION WITH GRAPHENE AS A POTENTIAL ADSORBENT

Мehmeti V., Мula V., Maiga M. D., Seydou M., Dagdag O., Berisha A., et al.
Macedonian Journal of Chemistry and Chemical Engineering , cilt.44, sa.1, ss.39-52, 2025 (SCI-Expanded) identifier

27. Formulation of thiosemicarbazide based epoxy resin as inhibitor for corrosion of mild steel in 1M HCl: electrochemcial and theoretical studies

Elkhadim M., Driouch M., Kadiri M., Dagdag O., Kim H., Hsissou R., et al.
Canadian Metallurgical Quarterly , 2025 (SCI-Expanded) identifier

28. Evaluating sono-photo-fenton and photocatalytic performance of ternary InVO4/BiVO4/FeVO4 composite for tetracycline degradation in water

Dhull P., Poonia K., Sonu S., Raizada P., Ahamad T., KAYA S., et al.
Journal of Industrial and Engineering Chemistry , 2025 (SCI-Expanded) identifier

29. Colebrookea opposifolia as a Sustainable Green Corrosion Inhibitor for Stainless Steel 410 in 0.5 M HCl: Experimental and Theoretical Aspects

Sushma S., Prasad D., Maithani R., Berisha A., KAYA S.
Arabian Journal for Science and Engineering , 2025 (SCI-Expanded) identifier

30. IR spectra simulations by anharmonic DFT and CDFT-saturated and unsaturated fatty acids of Siberian sturgeon (Acipenser baerii Brandt,1869)

AKTAŞ A. B., DAŞTAN T., GÖRGÜN S., Gunlu A., Ercan E., Katin K. P., et al.
Journal of Food Composition and Analysis , cilt.136, 2024 (SCI-Expanded) identifier

31. Evaluation of thiocarbohydrazide derivative as corrosion inhibitor for C1018 carbon steel in 3.5% NaCl + 500ppm HAc solution: Electrochemical, SEM, FTIR and computational studies

Onyeachu I. B., Chauhan D. S., Quraishi M. A., Shailendra Y., KAYA S., SERDAROĞLU G.
Scientific African , cilt.26, 2024 (ESCI) identifier

32. 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 , cilt.14, sa.15, ss.17603-17617, 2024 (SCI-Expanded) identifier identifier

33. 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 , cilt.31, sa.27, ss.38835-38845, 2024 (SCI-Expanded) identifier identifier identifier

34. 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 , cilt.31, sa.28, ss.39907-39944, 2024 (SCI-Expanded) identifier identifier

35. 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 , cilt.28, sa.2, ss.509-530, 2024 (SCI-Expanded) identifier identifier identifier

36. Chalcone-based novel mono and bisthiocarbohydrazone: synthesis, crystal structure, antioxidant property and theoretical evaluation

Lafta A. Z., KAYA Y., ERÇAĞ A., Zorlu Y., KAYA S., Berisha A.
Journal of Sulfur Chemistry , cilt.45, sa.3, ss.346-363, 2024 (SCI-Expanded) identifier

37. Screening of Novel 1,2,4-triazine Clubbed 1,2,3-triazole Derivatives as Α-glucosidase Inhibitors: In Silico Study

Chaturvedi N., Bhattacharya S., Asati V., Chtita S., KAYA S., Almehizia A. A., et al.
Letters in Drug Design and Discovery , cilt.21, sa.19, ss.4894-4918, 2024 (SCI-Expanded) identifier

38. 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) identifier identifier

39. 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) identifier identifier

40. 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)

41. 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) Creative Commons License identifier

42. 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 identifier

43. 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) identifier

44. 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) identifier identifier

45. 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) identifier

46. 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) identifier identifier

47. 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) identifier

48. 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) identifier

49. 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) identifier

50. 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) identifier identifier

51. 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) identifier identifier

52. 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) identifier

53. 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) identifier identifier

54. 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) identifier identifier

55. 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) identifier identifier

56. 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) identifier

57. 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) identifier

58. 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) identifier identifier

59. 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) identifier identifier

60. 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) identifier identifier

61. 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) Creative Commons License identifier identifier

62. 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) identifier identifier

63. 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) identifier identifier

64. 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)

65. 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) identifier

66. 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)

67. 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) identifier identifier

68. 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) identifier identifier

69. 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) identifier identifier

70. 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) identifier identifier identifier

71. 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) identifier identifier

72. 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) identifier identifier

73. Introduction to Chemical Reactivity

von Szentpály L., KAYA S.
Chemical Reactivity: Volume 1: Theories and Principles , cilt.1, 2023 (Scopus) identifier

74. 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) identifier identifier

75. 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) identifier identifier

76. 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) identifier identifier

77. 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) Creative Commons License identifier identifier

78. 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) identifier identifier

79. 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) identifier identifier

80. 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) identifier identifier

81. 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) identifier identifier

82. 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) identifier identifier

83. 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) identifier identifier

84. 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) identifier identifier

85. 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) identifier identifier

86. 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) identifier identifier

87. 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) Creative Commons License identifier identifier

88. 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) identifier identifier

89. 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) identifier identifier

90. 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) identifier identifier

91. 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 identifier identifier

92. 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) identifier identifier

93. 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) identifier identifier

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

Şimşek S., Derin Y., Kaya S., Şenol Z. M., Katin K. P., Özer A.
LANGMUIR , cilt.1, sa.1, ss.1-16, 2022 (SCI-Expanded)

95. 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) identifier identifier

96. 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) identifier identifier identifier

97. 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) identifier identifier

98. 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) identifier identifier identifier

99. 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 identifier identifier

100. 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) identifier identifier

101. 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) identifier identifier

102. 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 identifier identifier identifier

103. 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) identifier identifier

104. 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 identifier identifier

105. 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) identifier identifier

106. 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) identifier identifier

107. 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) identifier identifier

108. 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) identifier identifier

109. 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, Scopus) identifier identifier

110. 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) identifier identifier identifier

111. 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) identifier identifier

112. 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 identifier identifier identifier

113. 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 identifier identifier

114. 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) identifier identifier

115. 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) identifier identifier

116. 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 identifier identifier

117. 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) identifier identifier

118. 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) identifier identifier identifier

119. 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) identifier identifier

120. 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 identifier identifier

121. 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) Creative Commons License identifier identifier identifier

122. 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) Creative Commons License identifier identifier identifier

123. 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) identifier identifier

124. 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) Creative Commons License identifier identifier

125. 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) identifier identifier

126. 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) identifier identifier

127. 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) identifier identifier

128. 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) identifier identifier

129. 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) identifier identifier

130. 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) identifier identifier

131. 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) identifier identifier

132. 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) identifier identifier

133. 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) identifier identifier identifier

134. 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) identifier identifier

135. 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) identifier identifier

136. 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) identifier identifier

137. 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) identifier identifier

138. 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 identifier identifier

139. 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) identifier identifier

140. 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) identifier identifier

141. 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) identifier identifier identifier

142. 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) identifier identifier

143. 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) identifier

144. 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) identifier identifier

145. 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 identifier identifier

146. 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) identifier identifier identifier

147. 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) identifier identifier

148. 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 identifier identifier identifier

149. 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 identifier identifier

150. 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) identifier identifier

151. 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) identifier identifier

152. 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) identifier identifier

153. 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) identifier identifier

154. 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) identifier identifier

155. 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) identifier identifier

156. 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 identifier identifier identifier

157. 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) identifier identifier

158. 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 identifier identifier

159. 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) identifier identifier

160. 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) identifier identifier identifier

161. 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) identifier identifier identifier

162. 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)

163. 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) identifier identifier

164. 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) identifier identifier

165. 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) identifier identifier identifier

166. 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) identifier identifier

167. 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) identifier identifier

168. 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) identifier identifier identifier

169. 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) identifier identifier

170. 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) identifier identifier

171. 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) identifier identifier

172. 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) identifier identifier

173. 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) identifier identifier

174. 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) identifier identifier

175. 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) identifier identifier

176. 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) identifier identifier identifier

177. 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) identifier identifier

178. 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) identifier identifier

179. 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) identifier identifier

180. 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) identifier identifier

181. 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) identifier identifier

182. 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) identifier identifier

183. 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) identifier identifier

184. 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) identifier identifier

185. 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 identifier identifier

186. 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) identifier identifier

187. 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) identifier identifier

188. 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) identifier identifier

189. 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) identifier identifier identifier

190. 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) identifier identifier

191. 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) identifier identifier

192. 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) identifier identifier

193. 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) identifier identifier

194. 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) identifier identifier

195. 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) identifier identifier

196. 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, Scopus) identifier identifier

197. 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) identifier identifier identifier

198. 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) identifier

199. 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) identifier identifier

200. 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) identifier identifier

201. 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 identifier identifier

202. 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) identifier identifier

203. 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) identifier identifier

204. 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) identifier identifier

205. 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) identifier identifier

206. 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) identifier identifier

207. 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) identifier identifier

208. 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) Creative Commons License identifier identifier

209. 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) identifier identifier

210. 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)

211. 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) Creative Commons License identifier identifier

212. 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) Creative Commons License identifier identifier

213. 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 identifier identifier identifier

214. 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) identifier identifier

215. 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) identifier identifier

216. 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) identifier identifier identifier

217. 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) identifier

218. 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) Creative Commons License identifier

219. 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) identifier identifier

220. 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) identifier identifier

221. Relationships between lattice energies of inorganic ionic solids

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

222. 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) Creative Commons License identifier identifier identifier

223. 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) Creative Commons License

224. 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) identifier identifier

225. 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) identifier identifier

226. 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) identifier identifier

227. 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) identifier identifier

228. 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) Creative Commons License

229. 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) identifier identifier

230. 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) identifier identifier identifier

231. 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) identifier identifier

232. 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) Creative Commons License identifier

233. 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)

234. 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)

235. 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) Creative Commons License identifier identifier

236. 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) identifier identifier

237. 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) identifier identifier

238. 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) Creative Commons License

239. 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) Creative Commons License

240. 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) identifier identifier

241. 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) identifier identifier

242. 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) Creative Commons License identifier identifier

243. 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) identifier identifier

244. 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) identifier identifier

245. 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) Creative Commons License identifier identifier

246. 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) Creative Commons License identifier identifier

247. 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) identifier identifier

248. 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) identifier identifier

249. Comments on Electronegativity Equalization with Pauling Units

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

250. 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) identifier identifier

251. 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) identifier identifier

252. 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) identifier identifier

253. 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) identifier identifier

254. 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) identifier

255. 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) identifier identifier

256. 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) identifier identifier

257. 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) identifier identifier

258. 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) identifier identifier identifier

259. 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) Creative Commons License

260. 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) identifier identifier

261. 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) identifier identifier

262. 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) identifier

263. 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) identifier

264. 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) identifier

265. 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) identifier identifier

266. 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)

267. 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)

268. 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)

269. 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)
Hakemli Bilimsel Toplantılarda Yayımlanmış Bildiriler 26

1. 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, (Özet Bildiri)

2. 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, (Özet Bildiri)

3. 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 - 25 Haziran 2022, (Özet Bildiri)

4. 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, (Özet Bildiri)

5. 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, (Tam Metin Bildiri)

6. 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, (Tam Metin Bildiri)

7. 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, (Tam Metin Bildiri)

8. 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, (Özet Bildiri)

9. 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, (Özet Bildiri)

10. 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, (Özet Bildiri)

11. 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, (Tam Metin Bildiri) identifier

12. 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, (Özet Bildiri)

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

KAYA S.
International Trace Analysis Congress, Türkiye, 20 - 23 Haziran 2018, (Özet Bildiri)

14. 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, (Tam Metin Bildiri) identifier identifier

15. 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, (Özet Bildiri)

16. 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, (Özet Bildiri)

17. 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, (Özet Bildiri)

18. 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, (Özet Bildiri)

19. 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, (Özet Bildiri)

20. 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, (Özet Bildiri)

21. 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, (Özet Bildiri)

22. İyonik Kristallerin Örgü Enerjilerinin Hesaplanması İçin Yeni Bir Metot

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

23. A new method for Calculation of Molecular Hardness

KAYA S., KAYA C.
International Symposium on Molecular Chemistry, 19 Aralık 2014, (Özet Bildiri)

24. 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, (Özet Bildiri)

25. 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, (Özet Bildiri)

26. 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, (Özet Bildiri)
Kitaplar 15

1. Chemical Reactivity: Volume 2: Approaches and Applications

KAYA S., von Szentpály L., SERDAROĞLU G., Guo L.
Elsevier Inc., 2023

2. CORROSION SCIENCE: Theoretical and Practical Applications

KAYA S., Obot I. B., ÖZKIR D., SERDAROĞLU G., Singh A.
Taylor& Francis, New York, 2023

3. Chemical Reactivity: Volume 1: Theories and Principles

KAYA S., von Szentpály L., SERDAROĞLU G., Guo L.
Elsevier Inc., 2023

4. A General Introduction to Corrosion from Past to Present

SERDAROĞLU G., KAYA S.
Corrosion Science: Theoretical and Practical Applications, , Editör, Taylor& Francis, New York, ss.1-4, 2023

5. Materials Development and Processing for Biomedical Applications

KAYA S., Yesudass S., Arthanari S., Bose S., SERDAROĞLU G.
CRC PRESS/ Taylor & Francis Group, Florida, 2022

6. Organic and Inorganic Corrosion Inhibitors A Comparison

SERDAROĞLU G., KAYA S.
Organic Corrosion Inhibitors: Synthesis, Characterization, Mechanism, and Applications, Chandrabhan Verma,Chaudhery Mustansar Hussain,Eno E. Ebenso, Editör, Wiley Online Library, New York, ss.59-73, 2022

7. Computational methods used in corrosion inhibition research

KAYA S., Ikot A. N., Kumar A., ŞİMŞEK S., Zhu M., Guo L.
Eco-Friendly Corrosion Inhibitors Principles, Designing and Applications, Guo Lei, Verma, Chandrabhan, Zhang, Dawei, Editör, Elseiver, Amsterdam, ss.527-538, 2022

8. Ionic Liquids as Corrosion Inhibitors

KAYA S., ERKAN S., ŞİMŞEK S.
Sustainable Corrosion Inhibitors II: Synthesis, Design, and Practical Applications, Hussain, Chaudhery Mustansar; Verma, Chandrabhan, Editör, ACS, ss.4, 2021

9. New Challenges and Industrial Applications for Corrosion Prevention and Control

Kaya S. (Editör)
igi-global, New York, 2020

10. Phthalonitrile Derivatives Containing Different Heterocyclic Groups as New Corrosion Inhibitors for Iron(110) Surface

Yabaş E., Guo L., Safi Z. S., Kaya S.
Research Methodologies and Practical Applications of Chemistry, L. Pogliani,A. K. Haghi,N. Islam, Editör, CRC, New York , Florida, ss.71-89, 2020 Creative Commons License

11. Phthalonitrile Derivatives Containing Different Heterocyclic Groups as New Corrosion Inhibitors for Iron(110) Surface

YABAŞ E., Guo L., Safi Z. S., KAYA S.
Research Methodologies and Practical Applications of Chemistry, Lionello Pogliani, A. K. Hagni, Nazmul Islam, Editör, CRC PressTaylor-Francis Group, ss.71-96, 2020

12. CONCEPTUAL DENSITY FUNCTIONAL THEORY AND ITS APPLICATIONS IN THE CHEMICAL DOMAIN

Kaya S. (Editör)
CRC, New York , New Jersey, 2018 Creative Commons License Sürdürülebilir Kalkınma

13. Conceptual Density Functional Theory and Its Application to Corrosion Inhibition Studies

OBOT I. B., KAYA S., KAYA C.
Conceptual Density Functional Theory and Its Applications in the Chemical Domain, Islam Nazmul, Kaya Savaş, Editör, Apple Academic Press, ss.196-216, 2018

14. Chemical Equalization Principles and Their New Applications

KAYA S., KAYA C., OBOT I. B.
Conceptual Density Functional Theory and Its Application in the Chemical Domain, Islam Nazmul, Kaya Savaş, Editör, Apple Academic Press, ss.90-144, 2018

15. Ionization Energies of Atoms of 103 Elementsof Periodic Table Using Semiemprical and DFT Methods

ISLAM N., KAYA S., GHOSH D. C.
Conceptual Density Functional Theory and Its Application in the Chemical Domain, Islam Nazmul, Kaya Savaş, Editör, Apple Academic Press, ss.344-360, 2018
Metrikler

Yayın

333

Yayın (WoS)

267

Yayın (Scopus)

270

Atıf (WoS)

12100

H-İndeks (WoS)

61

Atıf (Scopus)

12100

H-İndeks (Scopus)

61

Atıf (Scholar)

12100

H-İndeks (Scholar)

61

Proje

7

Açık Erişim

22
BM Sürdürülebilir Kalkınma Amaçları