| Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: a density functional theory D Sajan, L Joseph, N Vijayan, M Karabacak Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 81 (1 …, 2011 | 179 | 2011 |
| Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations M Kurt, PC Babu, N Sundaraganesan, M Cinar, M Karabacak Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 79 (5 …, 2011 | 139 | 2011 |
| Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-Methoxy-phenyl)-2-(4 … AM Asiri, M Karabacak, M Kurt, KA Alamry Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 82 (1 …, 2011 | 136 | 2011 |
| FT-IR, FT-Raman, NMR and UV–vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid M Karabacak, Z Cinar, M Kurt, S Sudha, N Sundaraganesan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 85 (1 …, 2012 | 124 | 2012 |
| FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid M Karabacak, M Cinar, Z Unal, M Kurt Journal of Molecular Structure 982 (1-3), 22-27, 2010 | 121 | 2010 |
| The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO–LUMO analysis of monomeric and dimeric … M Karabacak, L Sinha, O Prasad, Z Cinar, M Cinar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 93, 33-46, 2012 | 118 | 2012 |
| FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline AU Rani, N Sundaraganesan, M Kurt, M Cinar, M Karabacak Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 75 (5 …, 2010 | 117 | 2010 |
| An experimental and theoretical study of molecular structure and vibrational spectra of 2-chloronicotinic acid by density functional theory and ab initio Hartree–Fock calculations M Karabacak, M Çınar, M Kurt Journal of Molecular Structure 885 (1-3), 28-35, 2008 | 116 | 2008 |
| Spectroscopic properties, NLO, HOMO–LUMO and NBO analysis of 2, 5-Lutidine M Govindarajan, M Karabacak Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 421-435, 2012 | 113 | 2012 |
| Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO–LUMO, nbo analysis of organic 2, 4, 5-trichloroaniline M Govindarajan, M Karabacak, S Periandy, D Tanuja Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 97, 231-245, 2012 | 108 | 2012 |
| FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid M Karabacak, M Cinar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 86, 590-599, 2012 | 102 | 2012 |
| Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime S Ramalingam, M Karabacak, S Periandy, N Puviarasan, D Tanuja Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 207-220, 2012 | 99 | 2012 |
| The spectroscopic (FT-IR and FT-Raman) and theoretical studies of 5-bromo-salicylic acid M Karabacak, M Kurt Journal of Molecular Structure 919 (1-3), 215-222, 2009 | 99 | 2009 |
| FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene M Govindarajan, M Karabacak, A Suvitha, S Periandy Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 89, 137-148, 2012 | 93 | 2012 |
| Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole S Sudha, M Karabacak, M Kurt, M Cinar, N Sundaraganesan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 84 (1 …, 2011 | 92 | 2011 |
| Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6-methylaniline M Karabacak, M Kurt, M Çınar, A Coruh Molecular Physics 107 (3), 253-264, 2009 | 89 | 2009 |
| FT‐Raman, FT‐IR spectra and DFT calculations on monomeric and dimeric structures of 5‐fluoro‐and 5‐chloro‐salicylic acid M Karabacak, E Kose, M Kurt Journal of Raman Spectroscopy 41 (9), 1085-1097, 2010 | 85 | 2010 |
| 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 … N Issaoui, H Ghalla, F Bardak, M Karabacak, NA Dlala, HT Flakus, B Oujia Journal of Molecular Structure 1130, 659-668, 2017 | 83 | 2017 |
| FT-IR and FT-Raman spectra, vibrational assignments, NBO analysis and DFT calculations of 2-amino-4-chlorobenzonitrile S Sudha, N Sundaraganesan, M Kurt, M Cinar, M Karabacak Journal of Molecular Structure 985 (2-3), 148-156, 2011 | 83 | 2011 |
| Experimental and theoretical FT‐IR and FT‐Raman spectroscopic analysis of N1‐methyl‐2‐chloroaniline M Karabacak, M Kurt, A Atac Journal of Physical Organic Chemistry 22 (4), 321-330, 2009 | 80 | 2009 |
