Molecular structure and vibrational spectra of 2, 6-bis (benzylidene) cyclohexanone: a density functional theoretical study D Sajan, KU Lakshmi, Y Erdogdu, IH Joe Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (1 …, 2011 | 181 | 2011 |
FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2, 6-diphenylpiperidin-4-one: DFT method S Subashchandrabose, H Saleem, Y Erdogdu, G Rajarajan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 82 (1 …, 2011 | 86 | 2011 |
DFT, FT-Raman, FT-IR and FT-NMR studies of 4-phenylimidazole MT Güllüoğlu, Y Erdogdu, J Karpagam, N Sundaraganesan, Ş Yurdakul Journal of Molecular Structure 990 (1-3), 14-20, 2011 | 85 | 2011 |
FT‐Raman and FT‐IR spectral and quantum chemical studies on some flavonoid derivatives: Baicalein and Naringenin O Unsalan, Y Erdogdu, MT Gulluoglu Journal of Raman Spectroscopy: An International Journal for Original Work in …, 2009 | 85 | 2009 |
Molecular structure and vibrational spectra of piperidine and 4-methylpiperidine by density functional theory and ab initio Hartree–Fock calculations MT Güllüoğlu, Y Erdoğdu, Ş Yurdakul Journal of molecular structure 834, 540-547, 2007 | 77 | 2007 |
DFT, FT‐Raman, FT‐IR and NMR studies of 2‐fluorophenylboronic acid Y Erdogdu, M Tahir Güllüoǧlu, M Kurt Journal of Raman Spectroscopy: An International Journal for Original Work in …, 2009 | 75 | 2009 |
DFT-based molecular modeling, NBO analysis and vibrational spectroscopic study of 3-(bromoacetyl) coumarin D Sajan, Y Erdogdu, R Reshmy, Ö Dereli, KK Thomas, IH Joe Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 82 (1 …, 2011 | 66 | 2011 |
Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6-aminoflavone Y Erdogdu, O Unsalan, M Amalanathan, IH Joe Journal of Molecular Structure 980 (1-3), 24-30, 2010 | 65 | 2010 |
Vibrational analysis of flavone Y Erdoğdu, O Ünsalan, MT GÜLLÜOĞLU Turkish journal of Physics 33 (5), 249-260, 2009 | 55 | 2009 |
FT‐Raman, FT‐IR spectral and DFT studies on 6, 8‐dichloroflavone and 6, 8‐dibromoflavone Y Erdogdu, O Unsalan, MT Gulluoglu Journal of Raman Spectroscopy 41 (7), 820-828, 2010 | 49 | 2010 |
Analysis of vibrational spectra of 2 and 3-methylpiperidine based on density functional theory calculations Y Erdogdu, MT Güllüoğlu Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 74 (1 …, 2009 | 46 | 2009 |
Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations Y Erdogdu, O Unsalan, D Sajan, MT Gulluoglu Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 76 (2 …, 2010 | 45 | 2010 |
FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole Y Erdogdu, D Manimaran, MT Güllüoǧlu, M Amalanathan, I Hubert Joe, ... Optics and Spectroscopy 114, 525-536, 2013 | 41 | 2013 |
Investigations of FT-IR, FT-Raman, FT-NMR spectra and quantum chemical computations of Esculetin molecule Y Erdogdu Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 106, 25-33, 2013 | 40 | 2013 |
FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis (4-amino-5-mercapto-1, 2, 4-triazol-3-yl) ethane by ab initio HF and DFT methods S Subashchandrabose, AR Krishnan, H Saleem, V Thanikachalam, ... Journal of Molecular Structure 981 (1-3), 59-70, 2010 | 37 | 2010 |
Synthesis and structural characterization of (E)-N′-((Pyridin-2-yl) methylene) benzohydrazide by X-ray diffraction, FT-IR, FT-Raman and DFT methods NR Babu, S Subashchandrabose, MSA Padusha, H Saleem, ... Journal of Molecular Structure 1072, 84-93, 2014 | 36 | 2014 |
Synthesis and spectral characterization of hydrazone derivative of furfural using experimental and DFT methods NR Babu, S Subashchandrabose, MSA Padusha, H Saleem, Y Erdoğdu Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120, 314-322, 2014 | 35 | 2014 |
DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 4-acetylpyridine A Atilgan, Ş Yurdakul, Y Erdogdu, MT Güllüoğlu Journal of Molecular Structure 1161, 55-65, 2018 | 31 | 2018 |
Molecular structure and vibrational spectra of 7-Ethoxycoumarin by density functional method EK Sarıkaya, Ö Dereli, Y Erdoğdu, MT Güllüoğlu Journal of Molecular Structure 1049, 220-226, 2013 | 31 | 2013 |
Molecular structure and vibrational spectra of 1, 3-bis (4-piperidyl) propane by quantum chemical calculations Y Erdoğdu, MT Güllüoğlu, Ş Yurdakul Journal of Molecular Structure 889 (1-3), 361-370, 2008 | 31 | 2008 |