| Electric field modulation of electronic structure, charge transfer, and nonlinear optical properties of crocetin for dye-sensitized solar cells FEHMİ BARDAK,CEMİLE BARDAK , Place of publication:Journal of Molecular Structure , 2025 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molstruc.2024.140528 |
| Empirical, computational studies and non-covalent interactions analysis of a novel salt with cadmium transition metal precursor Ikram Jomaa,Noureddine Issaoui,FEHMİ BARDAK,Thierry Roisnel,AHMET ATAÇ,Houda Marouani , Place of publication:Journal of Molecular Structure , 2025 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molstruc.2024.140378 |
| Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study Ikram Jomaa,FEHMİ BARDAK,Noureddine Issaoui,Aurelio Cabeza,Duane Choquesillo-Lazarte,AHMET ATAÇ,Houda Marouani,Omar M. Al-Dossary , Place of publication:Journal of King Saud University – Science , 2024 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.jksus.2024.103178 |
| A comprehensive study on the effect of substitution position and solvent effect on absorption and emission characteristics of n-methylindoles via linear response and State-Specific formalisms ÇAĞLAR KARACA,FEHMİ BARDAK,ETEM KÖSE,AHMET ATAÇ , Place of publication:Journal of Photochemistry and Photobiology A: Chemistry , 2024 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.jphotochem.2024.115469 |
| Computational Insight into Warfarin Blockage by Silymarin Components via DFT and Molecular Docking FEHMİ BARDAK , Place of publication:ChemistrySelect , 2024 International Refereed SCI-Expanded Article https://dx.doi.org/10.1002/slct.202402363 |
| Single and binary nickel, copper, and zinc-based nanosized oxides as anode materials in lithium-ion batteries EVREN EGESOY,ÖZLEM KAP,FEHMİ BARDAK,NESRİN HORZUM POLAT,AHMET ATAÇ , Place of publication:Journal of Materials Science: Materials in Electronics , 2024 International Refereed SCI-Expanded Article https://dx.doi.org/10.1007/s10854-023-11838-0 |
| 2-klorokinolinin Moleküler ve Spektroskopik Özelliklerinin Kuantum Kimyasal Hesaplama Yöntemleriyle Araştırılması FEHMİ BARDAK,ETEM KÖSE , Place of publication:Afyon Kocatepe University Journal of Sciences and Engineering , 2024 National Refereed TR DİZİN Article https://dx.doi.org/10.35414/akufemubid.1378105 |
| Effect of anion and methylation on the interionic interactions and reactivity of 1-butyl-2,3-dimethyl imidazolium-based ionic liquids SİBEL YILDIRIM,FEHMİ BARDAK,AHMET ATAÇ , Place of publication:Journal of Molecular Liquids , 2023 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molliq.2023.123530 |
| External field intensity and wavelength dependency from IR to deep UV of linear and nonlinear optical properties of 1-butyl-3-methylimidazolium dicyanamide ionic liquid FEHMİ BARDAK,CEMİLE BARDAK , Place of publication:Journal of Molecular Liquids , 2023 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molliq.2023.123014 |
| Experimental and DFT-based investigation of structural, spectroscopic, and electronic features of 6-Chloroquinoline ETEM KÖSE,FEHMİ BARDAK , Place of publication:Celal Bayar University Journal of Science , 2023 National Refereed TR DİZİN Article https://dx.doi.org/10.18466/cbayarfbe.1313229 |
| Anionic dependency of electronic and nonlinear optical properties of ionic liquids FEHMİ BARDAK,CEMİLE BARDAK,ÇAĞLAR KARACA,ETEM KÖSE,SİBEL YILDIRIM,AHMET ATAÇ , Place of publication:Journal of Molecular Liquids , 2022 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molliq.2021.117030 |
| Investigation of the interionic interactions and spectroscopic features of 1-Octyl-3-methylimidazolium chloride, tetrafluoroborate, and hexafluorophosphate ionic liquids: An experimental survey and DFT modeling SİBEL YILDIRIM,FEHMİ BARDAK,ETEM KÖSE,AHMET ATAÇ , Place of publication:Journal of Molecular Structure , 2022 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molstruc.2022.132912 |
| Non covalent interactions analysis and spectroscopic characterization combined with molecular docking study of N\u2032-(4-Methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide Abir Sagaama,Noureddine Issaoui,FEHMİ BARDAK,Omar Al-Dossary,Aleksandr S. Kazachenko,Khalid Karrouchi,AHMET ATAÇ,Marek J. Wojcik , Place of publication:Journal of King Saud University – Science , 2022 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.jksus.2021.101778 |
| Structural, theoretical and third order nonlinear optical properties of (E)-N\u2019-(4-chlorobenzylidene)-4-fluorobenzohydrazide monohydrate N. Latha,D. Barathi,M. Uthaya Kumar,N. Vennila,G. Vinitha,Mani Rajaboopathi,Louhi-Kultanen Marjatta,FEHMİ BARDAK,AHMET ATAÇ,ETEM KÖSE , Place of publication:Molecular Crystals and Liquid Crystals , 2021 International Refereed SCI-Expanded Article https://dx.doi.org/10.1080/15421406.2021.1913541 |
| Theoretical and experimental investigation of the spectroscopic features of and interionic interactions in 1-hexyl-3-methylimidazolium chloride, 1-hexyl-3-methylimidazolium tetrafluoroborate and 1-hexyl-3-methylimidazolium hexafluorophosphate ionic liquids SİBEL YILDIRIM,AHMET ATAÇ,FEHMİ BARDAK , Place of publication:JOURNAL OF MOLECULAR LIQUIDS , 2020 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molliq.2020.112468 |
| The investigation of fluorine substitution in difluoroanilines with focus on 2,6-difluoroaniline by spectroscopic methods, density functional theory approach, and molecular docking ETEM KÖSE,FEHMİ BARDAK,AHMET ATAÇ , Place of publication:JOURNAL OF MOLECULAR STRUCTURE , 2019 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molstruc.2019.06.038 |
| Experimental and DFT analysis of structural and spectroscopic features of nitroterephthalic acid, and computational insights into its molecular interactions with hER-α via molecular docking FEHMİ BARDAK , Place of publication:Journal of Molecular Structure , 2019 International Refereed SCI Article https://dx.doi.org/10.1016/j.molstruc.2018.07.110 |
| Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI) Sonia Trabelsi,Noureddine Issaoui,Silvia A Brandan,FEHMİ BARDAK,Thierry Roisnel,AHMET ATAÇ,Houda Marouani , Place of publication:JOURNAL OF MOLECULAR STRUCTURE , 2019 International Refereed SCI Article https://dx.doi.org/10.1016/j.molstruc.2019.02.106 |
| Effect of the external electric field on the electronic structure, spectroscopic features, NLO properties, and interionic interactions in ionic liquids: A DFT approach CEMİLE BARDAK,AHMET ATAÇ,FEHMİ BARDAK , Place of publication:JOURNAL OF MOLECULAR LIQUIDS , 2019 International Refereed SCI Article https://dx.doi.org/10.1016/j.molliq.2018.10.043 |
| The structural and spectroscopic investigation of 2-chloro-3-methylquinoline by DFT method and UV–Vis, NMR and vibrational spectral techniques combined with molecular docking analysis ETEM KÖSE,AHMET ATAÇ,FEHMİ BARDAK , Place of publication:JOURNAL OF MOLECULAR STRUCTURE , 2018 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.molstruc.2018.02.099 |
| Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde Houcine Ghalla,Noureddine Issaoui,FEHMİ BARDAK,AHMET ATAÇ , Place of publication:COMPUTATIONAL MATERIALS SCIENCE , 2018 International Refereed SCI Article https://dx.doi.org/10.1016/j.commatsci.2018.03.042 |
| Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking Noureddine Issaoui,Houcine Ghalla,FEHMİ BARDAK,MEHMET KARABACAK,Dlala N Aouled,Henryk T Flakus,Brahim Oujia , Place of publication:Journal of Molecular Structure , 2017 International Refereed SCI Article https://dx.doi.org/10.1016/j.molstruc.2016.11.019 |
| Synthesis, structural and spectroscopic features, and investigation of bioactive nature of a novel organic-inorganic hybrid material 1 H -1,2,4-triazole-4-ium trioxonitrate Sofian Gatfaoui,Noureddine Issaoui,Ali Mezni,FEHMİ BARDAK,Thierry Roisnel,AHMET ATAÇ,Houda Marouani , Place of publication:Journal of Molecular Structure , 2017 International Refereed SCI Article https://dx.doi.org/10.1016/j.molstruc.2017.08.092 |
| Comparative study of the intermolecular dynamics of imidazolium-based ionic liquids with linear and branched alkyl chains: OHD-RIKES measurements LIANJIE XUE,FEHMİ BARDAK,GEORGE TAMAS,EDWARD L QUITEVIS , Place of publication:Physical Chemistry Chemical Physics , 2017 International Refereed SCI Article https://dx.doi.org/10.1039/c6cp08263g |
| Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid Noureddine Issaoui,Ghalla Houcine,Silvia Antonia Brandán,FEHMİ BARDAK,HT Flakus,AHMET ATAÇ,Oujia Brahim , Place of publication:Journal of Molecular Structure , 2017 International Refereed SCI Article https://dx.doi.org/10.1016/j.molstruc.2017.01.074 |
| Investigation of Electronic Structure – Bioactive Nature Relationin Niacin Derivates by DFT Calculations and Molecular Docking FEHMİ BARDAK , Place of publication:Celal Bayar Üniversitesi Fen Bilimleri Dergisi , 2017 National Refereed TR DİZİN Article https://dx.doi.org/10.18466/cbayarfbe.319815 |
| Investigation of Dependence of Electronic Structure, SpectroscopicFeatures, and Interionic Weak Interactions on Alkyl Chain Length in[CnC1im][NTF2] (n=1,2, .. 8) Ionic Liquids FEHMİ BARDAK , Place of publication:Afyon Kocatepe Üniversitesi Fen ve Mühendislik Bilimleri Dergisi , 2017 National Refereed TR DİZİN Article https://dx.doi.org/10.5578/fmbd.66320 |
| Conformational, electronic, and spectroscopic characterization of isophthalic acid (monomer and dimer structures) experimentally and by DFT FEHMİ BARDAK,ÇAĞLAR KARACA,SİBEL YILDIRIM,AHMET ATAÇ,TUĞBA MAVİŞ,ABDULLAH M ASİRİ,MEHMET KARABACAK,ETEM KÖSE , Place of publication:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2016 International Refereed SCI Article https://dx.doi.org/10.1016/j.saa.2016.03.050 |
| Spectral investigations of 2 5 difluoroaniline by using mass electronicabsorption NMR and vibrational spectra ETEM KÖSE,MEHMET KARABACAK,FEHMİ BARDAK,AHMET ATAÇ , Place of publication:JOURNAL OF MOLECULAR STRUCTURE , 2016 International Refereed SCI Article |
| Heterogeneous dynamics in ionic liquids at the glass transition Fluorescence recovery after photobleaching measurements of probe rotational motion from Tg 6K to Tg 4K FEHMİ BARDAK,Justin R Rajian,Son Pillhun,Quitevis Edward L , Place of publication:JOURNAL OF NON-CRYSTALLINE SOLIDS , 2015 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.jnoncrysol.2014.09.027 |
| Determination of structural and vibrational spectroscopic features of neutral and anion forms of dinicotinic acid by using NMR infrared and Raman experimental methods combined with DFT and HF ETEM KÖSE,FEHMİ BARDAK,AHMET ATAÇ,MEHMET KARABACAK,MUSTAFA ALİ ÇİPİLOĞLU , Place of publication:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2013 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.saa.2013.05.049 |
| Nanostructural Organization in Acetonitrile Ionic Liquid Mixtures Molecular Dynamics Simulations and Optical Kerr Effect Spectroscopy FEHMİ BARDAK,Xiao Dong,Hines Larry G, Jr,Son Pillhun,Bartsch Richard A,Quitevis Edward L,Yang Peng,Voth Gregory A,HAYATİ OLGUN,HASAN SARPTAŞ,Gökhan Devekıran,Gökhan Devekıran,Erşan Olcay Işın,BABAK KEIVANI , Place of publication:ChemPhysChem , 2012 International Refereed SCI-Expanded Article https://dx.doi.org/10.1002/cphc.201200026 |
| The investigation of geometrical properties of 2 5 pyridinedicarboxylic acid synthesis and vibrational properties of its some metal halogen compounds AHMET ATAÇ,EVREN EGESOY,FEHMİ BARDAK,MUSTAFA ALİ ÇİPİLOĞLU , Place of publication:Celal Bayar Üniversitesi Fen Bilimleri Dergisi , 2011 National Refereed Not scanned in Indexes Article |
| Infrared and Raman study of some isonicotinic acid metal(II) halide and tetracyanonickelate complexes MUSTAFA KURT,AHMET ATAÇ,FEHMİ BARDAK , Place of publication:SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , 2009 National Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.saa.2008.07.008 |
| Infrared and Raman study of some isonicotinic acid metal II halide and tetracyanonickelate complexes FEHMİ BARDAK,AHMET ATAÇ,MUSTAFA KURT , Place of publication:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2009 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.saa.2008.07.008 |
| Synthesis and Vibrational Spectroscopic Study of Some Metal II Halide and Tetracyanonickelate Complexes of Isonicotinic Acid AHMET ATAÇ,FEHMİ BARDAK , Place of publication:Turkish Journal of Chemistry , 2006 International Refereed SCI-Expanded Article |
| Spectroscopic and luminescence properties of an isonicotinic acid CAN NURDOGAN,AHMET ATAÇ,FEHMİ BARDAK,ŞEBNEM ESEN SÖZERLİ , Place of publication:Turkish Journal of Chemistry , 2005 International Refereed SCI-Expanded Article |
| Structural characterization and luminescence properties of an isonicotinic acid N-oxide Mn(II) complex Can Nurdoğan,ŞEBNEM ESEN SÖZERLİ,AHMET ATAÇ,FEHMİ BARDAK , Place of publication:Polyhedron , 2004 International Refereed SCI-Expanded Article https://dx.doi.org/10.1016/j.poly.2003.12.022 |