| Linear and non-linear optical properties of some donor–acceptor oxadiazoles by ab initio Hartree-Fock calculations Y Atalay, D Avcı, A Başoğlu Structural Chemistry 19, 239-246, 2008 | 176 | 2008 |
| Ab initio HF and DFT calculations on an organic non-linear optical material D Avcı, A Başoğlu, Y Atalay Structural Chemistry 21, 213-219, 2010 | 94 | 2010 |
| Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores D Avcı, H Cömert, Y Atalay Journal of molecular modeling 14, 161-169, 2008 | 90 | 2008 |
| Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn (II) complex S Altürk, Ö Tamer, D Avcı, Y Atalay Journal of Organometallic Chemistry 797, 110-119, 2015 | 78 | 2015 |
| Theoretical investigation of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2, 4-dione: Conformational study, NBO and NLO analysis, molecular structure and NMR spectra H Pir, N Günay, Ö Tamer, D Avcı, Y Atalay Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 112, 331-342, 2013 | 75 | 2013 |
| Quantum chemical characterization of N-(2-hydroxybenzylidene) acetohydrazide (HBAH): A detailed vibrational and NLO analysis Ö Tamer, D Avcı, Y Atalay Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 117, 78-86, 2014 | 74 | 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 | 68 | 2014 |
| 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 | 67 | 2014 |
| A cobalt (II) complex with 6-methylpicolinate: synthesis, characterization, second-and third-order nonlinear optical properties, and DFT calculations S Altürk, D Avcı, Ö Tamer, Y Atalay, O Şahin Journal of Physics and Chemistry of Solids 98, 71-80, 2016 | 63 | 2016 |
| Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone D Avcı, S Bahçeli, Ö Tamer, Y Atalay Canadian Journal of Chemistry 93 (10), 1147-1156, 2015 | 63 | 2015 |
| Effects of different basis sets and donor‐acceptor groups on linear and second‐order nonlinear optical properties and molecular frontier orbital energies D Avci, A Başoğlu, Y Atalay International Journal of Quantum Chemistry 111 (1), 130-147, 2011 | 60 | 2011 |
| Copper (II) complex with 6-methylpyridine-2-carboxyclic acid: experimental and computational study on the XRD, FT-IR and UV–Vis spectra, refractive index, band gap and NLO … S Altürk, D Avcı, A Başoğlu, Ö Tamer, Y Atalay, N Dege Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 190, 220-230, 2018 | 59 | 2018 |
| Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2, 4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide N Boukabcha, A Djafri, Y Megrouss, Ö Tamer, D Avcı, M Tuna, N Dege, ... Journal of Molecular Structure 1194, 112-123, 2019 | 58 | 2019 |
| Molecular structure and vibrational and chemical shift assignments of 3-(2-Hydroxyphenyl)-4-phenyl-1H-1, 2, 4-triazole-5-(4H)-thione by DFT and ab initio HF calculations D Avcı, Y Atalay, M Şekerci, M Dincer Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 (1 …, 2009 | 58 | 2009 |
| Three novel Cu (II), Cd (II) and Cr (III) complexes of 6− Methylpyridine− 2− carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular … D Avcı, S Altürk, F Sönmez, Ö Tamer, A Başoğlu, Y Atalay, BZ Kurt, ... Tetrahedron 74 (50), 7198-7208, 2018 | 56 | 2018 |
| Effects of different GIAO and CSGT models and basis sets on 2-aryl-1, 3, 4-oxadiazole derivatives D Avcı, Y Atalay Structural Chemistry 20, 185-201, 2009 | 56 | 2009 |
| Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor … Ö Tamer, H Mahmoody, KF Feyzioğlu, O Kılınç, D Avci, O Orun, N Dege, ... Applied Organometallic Chemistry 34 (3), e5416, 2020 | 55 | 2020 |
| Novel Cu (II), Co (II) and Zn (II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking D Avcı, S Altürk, F Sönmez, Ö Tamer, A Başoğlu, Y Atalay, BZ Kurt, ... Journal of Molecular Structure 1197, 645-655, 2019 | 54 | 2019 |
| Theoretical analysis of vibrational spectra and scaling‐factor of 2‐aryl‐1, 3, 4‐oxadiazole derivatives D Avci, Y Atalay International Journal of Quantum Chemistry 109 (2), 328-341, 2009 | 52 | 2009 |
| A new dinuclear copper (II) complex of 2, 5–Furandicarboxyclic acid with 4 (5)‐Methylimidazole as a high potential α‐glucosidase inhibitor: Synthesis, Crystal structure … D Avcı, S Altürk, F Sönmez, Ö Tamer, A Başoğlu, Y Atalay, B Zengin Kurt, ... Applied Organometallic Chemistry 33 (3), e4725, 2019 | 51 | 2019 |
