Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4, 5-dicyanophenyl) amino) ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents … N Dege, H Gökce, OE Doğan, G Alpaslan, T Ağar, S Muthu, Y Sert Colloids and Surfaces A: Physicochemical and Engineering Aspects 638, 128311, 2022 | 223 | 2022 |
Corrosion inhibition of carbon steel in 1 M H2SO4 using new Azo Schiff compound: Electrochemical, gravimetric, adsorption, surface and DFT studies AA Abdulridha, MAAH Allah, SQ Makki, Y Sert, HE Salman, AA Balakit Journal of Molecular Liquids 315, 113690, 2020 | 184 | 2020 |
Discovery of sulfadrug–pyrrole conjugates as carbonic anhydrase and acetylcholinesterase inhibitors M Gümüş, ŞN Babacan, Y Demir, Y Sert, İ Koca, İ Gülçin Archiv Der Pharmazie 355 (1), 2100242, 2022 | 179 | 2022 |
Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino) benzylidene)-5-methyl-1H-pyrazole-3 … K Karrouchi, SA Brandán, Y Sert, H El-Marzouqi, S Radi, M Ferbinteanu, ... Journal of Molecular Structure 1219, 128541, 2020 | 139 | 2020 |
New Heterocyclic Compound as Carbon Steel Corrosion Inhibitor in 1 M H2SO4, High Efficiency at Low Concentration: Experimental and Theoretical Studies MA Albo Hay Allah, AA Balakit, HI Salman, AA Abdulridha, Y Sert Journal of Adhesion Science and Technology 37 (3), 525-547, 2023 | 99 | 2023 |
Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide K Karrouchi, SA Brandán, Y Sert, M El Karbane, S Radi, M Ferbinteanu, ... Journal of Molecular Structure 1225, 129072, 2021 | 95 | 2021 |
Synthesis and inhibition profiles of N-benzyl-and N-allyl aniline derivatives against carbonic anhydrase and acetylcholinesterase–A molecular docking study I Mahmudov, Y Demir, Y Sert, Y Abdullayev, A Sujayev, SH Alwasel, ... Arabian Journal of Chemistry 15 (3), 103645, 2022 | 81 | 2022 |
Synthesis, spectrophotometric and DFT studies of new Triazole Schiff bases as selective naked-eye sensors for acetate anion AA Balakit, SQ Makki, Y Sert, F Ucun, MB Alshammari, P Thordarson, ... Supramolecular Chemistry 32 (10), 519-526, 2020 | 78 | 2020 |
5-((1H-imidazol-1-yl) methyl) quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies D Douche, Y Sert, SA Brandán, AA Kawther, B Bilmez, N Dege, A El Louzi, ... Journal of molecular structure 1232, 130005, 2021 | 76 | 2021 |
Molecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores Y Sert, M Gümüş, H Gökce, İ Kani, İ Koca Journal of Molecular Structure 1171, 850-866, 2018 | 73 | 2018 |
Acesulfame based Co (II) complex: Synthesis, structural investigations, solvatochromism, Hirshfeld surface analysis and molecular docking studies S Kansız, A Tolan, M Azam, N Dege, M Alam, Y Sert, SI Al-Resayes, ... Polyhedron 218, 115762, 2022 | 71 | 2022 |
Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide H Gökce, F Şen, Y Sert, BF Abdel-Wahab, BM Kariuki, GA El-Hiti Molecules 27 (7), 2193, 2022 | 60 | 2022 |
Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations Y Sert, Ç Çırak, F Ucun Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 107, 248-255, 2013 | 52 | 2013 |
Synthesis, spectroscopic characterization, crystal structure, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives Y Bouzian, K Karrouchi, Y Sert, CH Lai, L Mahi, NH Ahabchane, ... Journal of Molecular Structure 1209, 127940, 2020 | 48 | 2020 |
Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N-(12-amino-9, 10-dihydro-9, 10 … C Alaşalvar, N Öztürk, AM Alaa, H Gökce, AS El-Azab, MA El-Gendy, ... Journal of Molecular Structure 1171, 696-705, 2018 | 46 | 2018 |
Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2′-deoxyuridine Ç Çırak, Y Sert, F Ucun Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 92, 406-414, 2012 | 40 | 2012 |
Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies and DFT calculations, and antioxidant activity of 2-oxo-1, 2 … YF Baba, Y Sert, YK Rodi, S Hayani, JT Mague, D Prim, J Marrot, ... Journal of Molecular Structure 1188, 255-268, 2019 | 38 | 2019 |
Role of the cluster deformations in explaining the exotic decay half-lives A Soylu, Y Sert, O Bayrak, I Boztosun The European Physical Journal A 48 (9), 128, 2012 | 35 | 2012 |
Synthesis, DFT study, molecular docking and drug‐likeness analysis of the new Hydrazine‐1‐carbothioamide, triazole and thiadiazole derivatives: potential inhibitors of HSP90 İ Çapan, S Servi, İ Yıldırım, Y Sert ChemistrySelect 6 (23), 5838-5846, 2021 | 34 | 2021 |
Molecular structure, DFT, vibrational spectra with fluorescence effect, hirshfeld surface, docking simulation and antioxidant activity of thiazole derivative HA Khamees, YHE Mohammed, A Swamynayaka, FH Al‐Ostoot, Y Sert, ... ChemistrySelect 4 (15), 4544-4558, 2019 | 34 | 2019 |