| 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, 128311, 2022 | 315 | 2022 |
| 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 | 84 | 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 | 82 | 2022 |
| DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino) methyl] phenol E Temel, C Alaşalvar, H Gökçe, A Güder, Ç Albayrak, YB Alpaslan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 534-546, 2015 | 67 | 2015 |
| FT-IR, Micro-Raman and UV–vis spectroscopic and quantum chemical investigations of free 2, 2′-dithiodipyridine and its metal (Co, Cu and Zn) halide complexes H Gökce, S Bahçeli Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114, 61-73, 2013 | 59 | 2013 |
| Spectroscopic (FT-IR, Raman, NMR and UV–vis.) and quantum chemical investigations of (E)-3-[4-(pentyloxy) phenyl]-1-phenylprop-2-en-1-one A Abbas, H Gökce, S Bahçeli, MM Naseer Journal of Molecular Structure 1075, 352-364, 2014 | 58 | 2014 |
| Thiol–thione tautomeric analysis, spectroscopic (FT-IR, Laser-Raman, NMR and UV–vis) properties and DFT computations of 5-(3-pyridyl)-4H-1, 2, 4-triazole-3-thiol molecule H Gökce, N Öztürk, Ü Ceylan, YB Alpaslan, G Alpaslan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 163, 170-180, 2016 | 55 | 2016 |
| Spectroscopic (FT–IR and UV–Vis) and theoretical (HF and DFT) investigation of 2-Ethyl-N-[(5-nitrothiophene-2-yl) methylidene] aniline Ü Ceylan, GÖ Tarı, H Gökce, E Ağar Journal of Molecular Structure 1110, 1-10, 2016 | 55 | 2016 |
| A study on quantum chemical calculations of 3-, 4-nitrobenzaldehyde oximes H Gökce, S Bahçeli Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 79 (5 …, 2011 | 54 | 2011 |
| 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 | 52 | 2018 |
| Spectroscopic characterization and quantum chemical computations of the 5-(4-pyridyl)-1H-1,2,4-triazole-3-thiol molecule H Gökce, N Öztürk, M Taşan, YB Alpaslan, G Alpaslan Spectroscopy letters 49 (3), 167-179, 2016 | 50 | 2016 |
| Structural, Spectroscopic, Radical Scavenging Activity, Molecular Docking and DFT Studies of a Synthesized Schiff Base Compound H Gökce, YB Alpaslan, CT Zeyrek, E Ağar, A Güder, N Özdemir, ... Journal of Molecular Structure 1179, 205-215, 2019 | 45 | 2019 |
| Antiproliferative-antimicrobial properties and structural analysis of newly synthesized Schiff bases derived from some 1, 3, 4-thiadiazole compounds M Gür, S Yerlikaya, N Şener, S Özkınalı, MC Baloglu, H Gökçe, ... Journal of Molecular Structure 1219, 128570, 2020 | 42 | 2020 |
| The molecular structures, vibrational spectroscopies (FT-IR and Raman) and quantum chemical calculations of n-alkyltrimethylammonium bromides H Gökce, S Bahçeli Optics and Spectroscopy 115, 632-644, 2013 | 41 | 2013 |
| The Syntheses, Molecular Structures, Spectroscopic Properties (IR, Micro‐Raman, NMR and UV—vis) and DFT Calculations of Antioxidant 3‐Alkyl‐4‐[3‐methoxy‐4‐(4‐methylbenzoxy … H Gokce, S Bahceli, O Akyildirim, H Yuesek, OG Kol Letters in Organic Chemistry 10 (6), 395-441, 2013 | 39 | 2013 |
| Analysis of molecular structure, spectroscopic properties (FT-IR, micro-Raman and UV–vis) and quantum chemical calculations of free and ligand 2-thiopheneglyoxylic acid in … H Gökce, S Bahçeli Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 116, 242-250, 2013 | 37 | 2013 |
| Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L … A Güder, H Korkmaz, H Gökce, YB Alpaslan, G Alpaslan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 133, 378-395, 2014 | 36 | 2014 |
| Synthesis, dielectric properties, molecular docking and ADME studies of pyrrole-3-ones İ Çapan, M Gümüş, H Gökce, H Çetin, Y Sert, İ Koca Journal of Biomolecular Structure and Dynamics 40 (19), 8655-8671, 2022 | 35 | 2022 |
| Experimental (FT-IR, Raman and NMR) and Theoretical (B3LYP, B3PW91, M06-2X and CAM-B3LYP) Analyses of P-Tert-Butylphenyl Salicylate N Öztürk, T Özdemir, YB Alpaslan, H Gokce, G Alpaslan Bilge International Journal of Science and Technology Research 2 (1), 56-73, 2018 | 35 | 2018 |
| Spectroscopic characterization and density functional studies of (Z)-1-[(2-methoxy-5-(trifluoromethyl) phenylamino) methylene] naphthalene-2 (1H)-one YB Alpaslan, H Gökce, G Alpaslan, M Macit Journal of Molecular Structure 1097, 171-180, 2015 | 34 | 2015 |