| 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 | 315 | 2022 |
| Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of 2-[(2, 3-dimethylphenyl) amino]-N’-[(E)-thiophen-2-ylmethylidene] benzohydrazide MR Albayati, S Kansız, N Dege, S Kaya, R Marzouki, H Lgaz, R Salghi, ... Journal of Molecular Structure 1205, 127654, 2020 | 112 | 2020 |
| Synthesis, characterization, X-ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, boiled-egg model properties and molecular docking studies with human cyclophilin D … S Şahin, N Dege Polyhedron 205, 115320, 2021 | 103 | 2021 |
| Synthesis, crystal structure, Hirshfeld surface analysis, and computational study of a novel organic salt obtained from benzylamine and an acidic component M Ashfaq, KS Munawar, MN Tahir, N Dege, M Yaman, S Muhammad, ... ACS omega 6 (34), 22357-22366, 2021 | 99 | 2021 |
| Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one A Ramalingam, S Kansız, N Dege, S Sambandam Journal of Chemical Crystallography 51, 273-287, 2021 | 90 | 2021 |
| Synthesis of a novel phenytoin derivative: crystal structure, Hirshfeld surface analysis and DFT calculations W Guerrab, H Lgaz, S Kansiz, JT Mague, N Dege, M Ansar, R Marzouki, ... Journal of Molecular Structure 1205, 127630, 2020 | 90 | 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 | 87 | 2021 |
| Synthesis, crystal structure, vibrational spectral investigation, intermolecular interactions, chemical reactivity, NLO properties and molecular docking analysis on (E)-N-(4 … AR Guerroudj, N Boukabcha, A Benmohammed, N Dege, NEH Belkafouf, ... Journal of Molecular Structure 1240, 130589, 2021 | 86 | 2021 |
| Theoretical and experimental approaches of new Schiff bases: efficient synthesis, X-ray structures, DFT, molecular modeling and ADMET studies N Dege, MA Raza, OE Doğan, T Ağar, MW Mumtaz Journal of the Iranian Chemical Society 18, 2345-2368, 2021 | 82 | 2021 |
| Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized … H Inac, M Ashfaq, N Dege, M Feizi-Dehnayebi, KS Munawar, NK Yağcı, ... Journal of Molecular Structure 1295, 136751, 2024 | 81 | 2024 |
| Co (ii) and Zn (ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity K Chkirate, K Karrouchi, N Dege, NK Sebbar, A Ejjoummany, S Radi, ... New Journal of Chemistry 44 (6), 2210-2221, 2020 | 79 | 2020 |
| Synthesis, structural and molecular characterization of 2, 2-diphenyl-2H, 3H, 5H, 6H, 7H-imidazo [2, 1-b][1, 3] thiazin-3-one W Guerrab, IM Chung, S Kansiz, JT Mague, N Dege, J Taoufik, R Salghi, ... Journal of Molecular Structure 1197, 369-376, 2019 | 79 | 2019 |
| Vibrational spectroscopic studies, NMR, HOMO–LUMO, NLO and NBO analysis of 1-(2-nitrobenzoyl)-3, 5-diphenyl-4, 5-dihydro-1H-pyrazole with use X-ray diffractions and DFT … S Demir, F Tinmaz, N Dege, IO Ilhan Journal of Molecular Structure 1108, 637-648, 2016 | 79 | 2016 |
| Hirshfeld surface, crystal structure and spectroscopic characterization of (E)-4-(diethylamino)-2-((4-phenoxyphenylimino) methyl) phenol with DFT studies SD Kanmazalp, M Macit, N Dege Journal of Molecular Structure 1179, 181-191, 2019 | 78 | 2019 |
| 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, crystallographic structure, DFT calculations and Hirshfeld surface analysis of a fumarate bridged Co (II) coordination polymer S Kansız, N Dege Journal of Molecular Structure 1173, 42-51, 2018 | 75 | 2018 |
| Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy) phenyl) imino) methyl)-4-nitrophenol: A combined experimental and computational study Ö Tamer, N Dege, G Demirtaş, D Avcı, Y Atalay, M Macit, S Şahin Journal of Molecular Structure 1063, 295-306, 2014 | 75 | 2014 |
| The synthesis, characterization and theoretical study on nicotinic acid [1-(2, 3-dihydroxyphenyl) methylidene] hydrazide N Dege, N Şenyüz, H Batı, N Günay, D Avcı, Ö Tamer, Y Atalay Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120, 323-331, 2014 | 75 | 2014 |
| Facile synthesis, topological study, and adsorption properties of a novel Co (II)-based coordination polymer for adsorptive removal of methylene blue and methyl orange dyes M Muslim, A Ali, I Neogi, N Dege, M Shahid, M Ahmad Polyhedron 210, 115519, 2021 | 74 | 2021 |
| Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one F El Kalai, EB Çınar, CH Lai, S Daoui, T Chelfi, M Allali, N Dege, ... Journal of Molecular Structure 1228, 129435, 2021 | 72 | 2021 |
Sevgi Kansız, Ph.DSamsun Üniversitesi, Mühendislik Fakültesi, Temel Bilimler BölümüAdresse e-mail validée de samsun.edu.tr
