| 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 | 316 | 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 | 245 | 2020 |
| Discovery of sulfadrug–pyrrole conjugates as carbonic anhydrase and acetylcholinesterase inhibitors M Gümüş, ŞN Babacan, Y Demir, Y Sert, I Koca, İ Gülçin Archiv Der Pharmazie 355 (1), 2100242, 2022 | 234 | 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 | 171 | 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 | 148 | 2023 |
| 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 | 119 | 2020 |
| 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 | 108 | 2022 |
| 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 | 105 | 2021 |
| 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 | 88 | 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, I Kani, I Koca Journal of Molecular Structure 1171, 850-866, 2018 | 87 | 2018 |
| 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 | 83 | 2022 |
| 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 | 76 | 2022 |
| 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 | 57 | 2020 |
| 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 | 53 | 2013 |
| 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 | 51 | 2018 |
| 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 | 46 | 2021 |
| Utilization of pyrazole-perimidine hybrids bearing different substituents as corrosion inhibitors for 304 stainless steel in acidic media U Özlem, M Gümüş, S Yusuf, K İrfan, K Atıf Journal of Molecular Structure 1262, 133025, 2022 | 41 | 2022 |
| 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 | 40 | 2019 |
| 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 |
| 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 | 37 | 2019 |
Halil GökceGiresun Universityยืนยันอีเมลแล้วที่ giresun.edu.tr