How To Study 2Chloronicotinic Acid

Transcription

1 CURRICULUM VITAE 1. Name and Surname : Mehmet KARABACAK 2. Date of Birth : 04 August Title : Assoc. Prof. Dr. 4. Educational Status : Degree Field University Year Undergraduate Physics Teaching Dokuz Eylül University 1991 Graduate Physics Dumlupınar University 1995 Doctoral Physics Gazi University Academic Titles and Date of Appointments Assoc. Prof. Dr., Celal Bayar University, Manisa, Turkey Assoc. Prof. Dr., Afyon Kocatepe University, Afyonkarahisar, Turkey Assist. Prof. Dr., Afyon Kocatepe University, Afyonkarahisar, Turkey Dr. Lecturar, Afyon Kocatepe University, Afyonkarahisar, Turkey Research Assistant, Gazi University, Ankara, Turkey Research Assistant, Afyon Kocatepe University, Afyonkarahisar, Turkey 6. Graduate Theses Supervised (Master and PhD) 6.1. Master Theses Selamet, Ö. F., Thesis Topic: Investigation of geometrical structures of Pdn (n=56-80) Atomic clusters and melting behaviour of Pd78 cluster, Afyon Kocatepe University, Çınar, M., Thesis Topic: The experimental and theoretical investigation of the structure of 2, 4 and 6-chloronicotinic acid molecules by vibratioanal spectroscopy, Afyon Kocatepe University, Keser, A., Thesis Topic: Misconceptions on heat and temperature subjects at 9th grade students in Afyonkarahisar downtown area, Afyon Kocatepe University, Ermeç, Ş., Thesis Topic: The experimental and theoretical investigation of the structure of 2-, 4-, 6-bromonicotinic acid molecules by vibrational spectroscopy, Afyon Kocatepe University, Köse, E., Thesis Topic: The experimental and theoretical investigation of the structure of 5-Fluoro-Salicylic and 5-Chloro-Salicylic acid molecules by vibrational spectroscopy, Afyon Kocatepe University, Postalcılar, E., Thesis Topic: The experimental and theoretical investigation of the structure of 2-nitrobenzenesulfonamide, 3-nitrobenzenesulfonamide, 4- nitrobenzenesulfonamide molecules by spectroscopy, Afyon Kocatepe University, 2010 Çınar, Z., Thesis Topic: Experimentaly and theoreticaly investigation of 1/23

2 spectroscopic properties of some fluorobenzoic acid derivatives, Afyon Kocatepe University, Tanrıverdi, O., Thesis Topic: The experimental and theoretical investigation on spectroscopic properties of 2,6-difluorophenylboronic acid and 2,3,6- trifluorophenylboronic acid Molecules, Afyon Kocatepe University, Yılan, E., Thesis Topic: The experimental and theoretical investigation on spectroscopic properties of some benzoic acid derivatives, Afyon Kocatepe University, 2nd Advisior, Tülek, M., Thesis Topic: The experimental and theoretical investigation on spectroscopic properties of 2-acetylanthracene and 9-acetylanthracene molecules, Afyon Kocatepe University, PhD Theses Kose, E., Thesis Topic: The theoretical and experimental investigation of spectroscopy features and some organic molecules, Celal Bayar University, 2nd Advisior, continued. Bilgili S., Thesis Topic: The experimental and theoretical investigation on spectroscopic properties of some benzoic acid derivatives Celal Bayar University, continued. Bayrakdar A., Synthesis and investigation of the properties of novel azocalix[4]arenes by using ab initio method Pamukkale University, 2nd Advisior, continued. 7. Publications 7.1 Papers published in the refereed international journals (SCI & SSCI & Arts and Humanities) A1. Kantarcı Z., Karabacak M., Bülbül M.M., Infrared spectrosopic study on the Td-type clathrates: Cd(cyclohexylamine)2M(CN)4.2C6H6 (M= Cd or Hg)", Journal of Inclusion Phenomena and Macrocyclic Chemistry, 40 (2001) A2. Karabacak M., Özçelik S., Güvenç Z.B., Structures and energetics of PdN (N = 2-20) clusters using an embedded-atom model potential", Surface Science, (2002) A3. Karabacak M., Özçelik S., Güvenç Z.B., Structures and Energetics of Pd21-Pd55 Clusters", Surface Science, (2003) A4. Karabacak M., Özçelik S., Güvenç Z.B., Dynamics of Phase Changes and Melting of Pd7 Clusters", Acta Physica Slovaca, 54/3 (2004) A5. Karabacak M., Çınar M., Kurt M., 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, Journal of Molecular Structure, 885/1 3 (2008) A6. Karabacak M., Şahin E., Çınar M., Erol İ., Kurt M., X-Ray, FT-Raman, FT-IR spectra and ab initio HF, DFT calculations of 2-[(5-methylisoxazol-3-yl) amino]-2-oxo-ethyl methacrylate, Journal of Molecular Structure, 886/1 3 2/23

3 (2008) A7. Karabacak M., Kurt M., Comparison of Experimental and Density Functional Study on the Molecular Structure, Infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71/3 (2008) A8. Karabacak M., Karagöz D., Kurt M., Experimental (FT -IR and FT- Raman spectra) and theoretical (ab initio HF, DFT) study of 2 -chloro-5- methylaniline, Journal of Molecular Structure, 892/1 3 (2008) A9. Karabacak M., Çoruh A., Kurt M., FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3 Dibromo-N-Methylmaleimide: A combined experimental and theoretical study, Journal of Molecular Structure, 892/1 3 (2008) A10. Karabacak M., Kurt M., Çınar M., Çoruh A., Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6- methylaniline, Molecular Physics, 107/3 (2009) A11. Karabacak M., Çınar M., Çoruh A., Kurt M., Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-XC6H4SO2NH2 (X = Cl, Br or F), Journal of Molecular Structure, 919/1 3 (2009) A12.Karabacak M., Kurt M., The spectroscopic (FT -IR and FT-Raman) and theoretical studies of 5-bromo-salicylic acid, Journal of Molecular Structure, 919/1 3 (2009) A13. Karabacak M., Karagöz D., Kurt M., Erratum to "Experimental (FT-IR and FT-Raman spectra) and theoretical (ab initio HF, DFT) study of 2-chloro-5- methylaniline" [Journal of Molecular Structure 892 (2008) 25-31], Journal of Molecular Structure, 920/1 3 (2009) 480. A14. Kurt M., Sertbakan T.R., Özduran M., Karabacak M., Infrared and Raman spectrum, molecular structure and theoretical calculation of 3,4- Dichlorophenylboronic acid, Journal of Molecular Structure, 921/1 3 (2009) A15. Karabacak M., Çoruh A., Kurt M., Erratum to "FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3-dibromo-Nmethylmaleimide: A combined experimental and theoretical study" [Journal of Molecular Structure 892 (2008) ], Journal of Molecular Structure, 921/1 3 (2009) 352. A16. Karabacak M., Ataç A., Kurt M., Experimental and theoretical FT-IR and FT-Raman spectroscopic analysis of N1-methyl-2-chloroaniline, Journal of Physical Organic Chemistry, 22/4 (2009) A17. Karabacak M., Karagöz D., Kurt M., FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-Chloro-4-Methyaniline: A Combined experimantal and theoretical study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 72/5 (2009) A18. Karabacak M., Çınar M., Kurt M., Molecular Structure and vibrational assignment of hippuric acid: A detailed density functional theoretical study, Spectrochimica Acta A: Mol. and Biomol. Spect., 74(5) (2009) A19. Karabacak M., Çınar M., Ermeç S., Kurt M., Experimental vibrational 3/23

4 spectra (Raman, Infrared) and DFT calculations on monomeric and dimeric structures of 2- and 6-Bromo-nicotinic acid", Journal of Raman Spectroscopy, 41(1) (2010) A20. Karabacak M., Çınar M., Kurt M., DFT based computational study on the molecular conformation, NMR chemical shifts and vibrational transitions for N-(2-methylphenyl) methanesulfonamide and N-(3-methylphenyl) methanesulfonamide, Journal of Molecular Structure, 968 (2010) A21. Usha Rani A., Sundaraganesan N., Kurt M., Cinar M., Karabacak M., "FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-Nmethylaniline", Spectrochimica Acta A: Mol. and Biomol. Spect., 75(5) (2010) A22. Karabacak M., Köse E., Kurt M., FT-Raman, FT-IR spectra and DFT calculations on monomeric and dimeric structures of 5-fluoro-and 5-chlorosalicylic acid, Journal of Raman Spectroscopy, 41(9) (2010) A23. Karabacak M., Cinar M., Unal Z., Kurt M., "FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid", Journal of Molecular Structure, 982 (2010) A24. Govindarajan M., Ganasan K., Periandy S., Karabacak M., Mohan S., "Vibrational Spectroscopic Analysis of 2-Chlorotoluene and 2-Bromotoluene: A combined experimental and theoretical study", Spectrochimica Acta A: Mol. and Biomol. Spect., 77 (2010) A25. Sudha S., Sundaraganesan N., Kurt M., Cinar M., Karabacak M., "FT- IR and FT-Raman spectra, vibrational assignments, NBO analysis and DFT calculations of 2-amino-4-chlorobenzonitrile", Journal of Molecular Structure, 985 (2011) A26. Coruh A., Yilmaz F., Sengez B., Kurt M., Cinar M., Karabacak M., "Synthesis, molecular conformation, vibrational, electronic transition and chemical shift assignments of 4-(thiophene-3-ylmethoxy) phthalonitrile: A combined experimental and theoretical analysis", Structural Chemistry, 22 (2011) A27. Govindarajan M., Ganasan K., Periandy S., Karabacak M., "Experimental (FT-IR and FT-Raman), electronic structure and DFT Studies on 1-methoxynaphthalene", Spectrochimica Acta A: Mol. and Biomol. Spect., 79 (2011) A28. Kurt M, Chinna Babu P., Sundaraganesan N., Cinar M., Karabacak M., "Molecular structure, Vibrational, UV and NBO analysis of 4-chloro-7- nitrobenzofurazan by DFT calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 79 (2011) A29. Karabacak M., Cinar Z., Cinar M., "Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 79 (2011) A30. Sajan D., Joseph L., Vijayan N., Karabacak M., "Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: a density functional theory", Spectrochimica Acta A: Mol. and Biomol. Spect., 81 (2011) A31. Shoba D., Karabacak M., Periandy S., Ramalingam S., "FT-IR and FT- 4/23

5 Raman vibrational analysis, ab initio HF and DFT simulations of isocyanic acid 1-naphthyl ester", Spectrochimica Acta A: Mol. and Biomol. Spect., 81 (2011) A32. Ramalingam S., Jayaprakash A., Mohan S., Karabacak M., "Vibrational Investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, Peak resemblance, Ideal estimation, standard deviation of computed frequencies analyses and Electronic structure on 3-Methyl-1,2-butadiene using HF and DFT(LSDA/B3LYP/B3PW91) calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 82 (2011) A33. Nagabalasubramanian P.B., Karabacak M., Periandy S., "FT-IR, FT- Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-Naphthalenacetic Acid Methyl Ester", Spectrochimica Acta A: Mol. and Biomol. Spect., 82 (2011) A34. Asiri A.M., Karabacak M., Kurt M., Alamry K.A., "Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-Methoxy-phenyl)-2-(4- nitro-phenyl)-acrylonitrile: A combined experimental and theoretical analysis", Spectrochimica Acta A: Mol. and Biomol. Spect., 82 (2011) A35. Mahadevan D., Periandy S., Karabacak M., Ramalingam S., "FT-IR and FT-Raman, UV Spectroscopic investigation of 1-Bromo-3-Fluorobenzene using DFT (B3LYP, B3PW91 and MPW91PW91) calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 82 (2011) A36. Ataç A., Karabacak M., Kose E., Karaca C., "Spectroscopic (NMR, UV, FT-IR and FT-Raman) Analysis and Theoretical Investigation of Nicotinamide N-Oxiede with Density Functional Theory", Spectrochimica Acta A: Mol. and Biomol. Spect., 83 (2011) A37. Shoba S., Periandy S., Karabacak M., Ramalingam S., "Vibrational Spectroscopy (FT -IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3 Naphthalenediol", Spectrochimica Acta A: Mol. and Biomol. Spect., 83 (2011) A38. Cinar M., Coruh A., Karabacak M., "FT-IR, UV-Vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: A combined experimental and theoretical analysis", Spectrochimica Acta A: Mol. and Biomol. Spect., 83 (2011) A39. Udayakumar V., Periandy S., Karabacak M., Ramalingam S., "Experimental (FT -IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene", Spectrochimica Acta A: Mol. and Biomol. Spect., 83 (2011) A40. Yıldız N., Karabacak M., Kurt M., "Neural network consistent empirical physical formula construction for DFT based nonlinear vibrational spectra intensities of N-(2-methylphenyl) and N-(3-methylphenyl) methanesulfonamides", Journal of Molecular Structure, 1006 (2011) A41. Sudha S., Karabacak M., Kurt M., Cinar M., Sundaraganesan N., "Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole", Spectrochimica Acta A: Mol. and Biomol. Spect., 84 (2011) A42. Nagabalasubramanian P.B., Karabacak M., "Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of 1-(chloromethyl)-2-methylnaphthalene with experimental (FT -IR and FT- 5/23

6 Raman) techniques and quantum chemical calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 85 (2012) A43. Ataç A., Karabacak M., Karaca C., Kose E., "NMR, UV, FT-IR, FT- RAMAN Spectra and Molecular Structure (Monomeric and Dimeric Structure) Investigation of Nicotinic Acid N-Oxide : A Combined Experimental and Theoretical Study", Spectrochimica Acta A: Mol. and Biomol. Spect., 85 (2012) A44. Karabacak M., Cinar Z., Kurt M., Sudha S., Sundaraganesan N., "FT- IR, FT-Raman, NMR and UV-Vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 85 (2012) A45. Karabacak M., Cinar Z., Cinar M., "A structural and spectroscopic study on para-aminohippuric acid with experimental and theoretical approaches", Spectrochimica Acta A: Mol. and Biomol. Spect., 85 (2012) A46. Govindarajan M., Karabacak M., "FT-IR, FT-Raman and UV spectral investigation; computed frequency estimation analysis and electronic structure calculations on 1-nitronaphthalene", Spectrochimica Acta A: Mol. and Biomol. Spect., 85 (2012) A47. Karabacak M., Postalcilar E., Cinar M., "Determination of structural and vibrational spectroscopic properties of 2-, 3-, 4-nitrobenzenesulfonamide using FT-IR and FT-Raman experimental techniques and DFT quantum chemical calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 85 (2012) A48. Mahadevan D., Periandy S., Karabacak M., Ramalingam S., Puviarasan N., "Spectroscopic (FT -IR, FT-Raman and UV-VIS) investigation and Frontier molecular orbitals analysis on 3-Methyl-2-Nitrophenol using hybrid computational calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 86 (2012) A49. Karabacak M., Cinar M., "FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 86 (2012) A50. Karabacak M., Yilan E., "Molecular structure, spectroscopic (FT-IR, FT- Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO and LUMO analysis of 4'-Methylbiphenyl-2- carbonitrile", Spectrochimica Acta A: Mol. and Biomol. Spect., 87 (2012) A51. Govindarajan M., Karabacak M., Udayakumar V., Periandy S., "FT-IR, FT-Raman and UV spectral investigation; computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT", Spectrochimica Acta A: Mol. and Biomol. Spect., 88 (2012) A52. Govindarajan M., Karabacak M., Suvitha A., Periandy S., "FT-IR, FT- Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene", Spectrochimica Acta A: Mol. and Biomol. Spect., 89 (2012) A53. Yıldız N., Karabacak M., Kurt M., Akkoyun S., "Neural network consistent empirical physical formula construction for density functional theory based nonlinear vibrational absorbance and intensity of 6-choloronicotinic acid molecule", Spectrochimica Acta A: Mol. and Biomol. Spect., 90 (2012) /23

7 A54. Karabacak M., Kose E., Ataç A., "Molecular structure (monomeric and dimeric structure) and HOMO-LUMO analysis of 2-Aminonicotinic acid a comparison of calculated spectroscopic properties with FT-IR and UV-Vis.", Spectrochimica Acta A: Mol. and Biomol. Spect., 91 (2012) A55. Nagabalasubramanian P.B., Karabacak M., Periandy S., "Vibrational frequencies, structural confirmation stability and HOMO-LUMO analysis of nicotinic acid ethyl ester with experimental (FT-IR and FT-Raman) techniques and quantum mechanical calculations", Journal of Molecular Structure, 1017 (2012) A56. Rani U., Karabacak M., Tanrıverdi O., Kurt M., Sundaraganesan N., "The spectroscopic (FTIR, FT -Raman, NMR and UV), first-order hyperpolarizability and HOMO-LUMO analysis of Methylboronic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 92 (2012) A57. Kurt M., Cinar M., Karabacak M., Ayyaphan S., Sudha S., Sundaraganesan N., "The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method", Spectrochimica Acta A: Mol. and Biomol. Spect., 92 (2012) A58. Karabacak M., Sinha L., Prasad O., Cinar Z., Cinar M., "The spectroscopic (FT -Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO-LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 93 (2012) A59. Govindarajan M., Karabacak M., "Analysis of vibrational spectra (FT-IR and FT-Raman) and nonlinear optical properties of organic 2-chloro-p-xylene", Spectrochimica Acta A: Mol. and Biomol. Spect., 94 (2012) A60. Govindarajan M., Karabacak M., Periandy S., Xavier S., "Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of -Trichlorotoluene using HF and DFT", Spectrochimica Acta A: Mol. and Biomol. Spect., 94 (2012) A61. Kurt M., Karabacak M., Okur S., Sayin S., Yilmaz M., Sundaraganesan N., "Synthesis, FT-IR, FT-Raman, Dispersive Raman and NMR Spectroscopic study of a host molecule which potential applications in sensor devices", Spectrochimica Acta A: Mol. and Biomol. Spect., 94 (2012) A62. Ramalingam S., Karabacak M., Periandy S., Puviarasan N., "Spectroscopic analysis (FT -IR/FT-Raman) and Molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 94 (2012) A63. Poiyamozhi A., Sundaraganesan N., Karabacak M., Tanrıverdi O., Kurt M., "The spectroscopic (FTIR, FT -Raman, UV and NMR), first-order hyperpolarizability and HOMO-LUMO analysis of 4-amino-5-chloro-2- methoxybenzoic acid", Journal of Molecular Structure, 1024 (2012) A64. Ramalingam S., Karabacak M., Periandy S., Puviarasan N., Tanuja D., "Spectroscopic (Infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/homo and LU MO) on Cyclohexanone oxime", Spectrochimica Acta A: Mol. and Biomol. Spect., 96 (2012) A65. Govindarajan M., Karabacak M., "Spectroscopic properties, NLO, 7/23

8 HOMO-LUMO and NBO analysis of 2,5-Lutidine", Spectrochimica Acta A: Mol. and Biomol. Spect., 96 (2012) A66. Karabacak M., Cinar M., "A comparative experimental and quantum chemical study on monomeric and dimeric structures of 3,5-dibromoanthranilic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 96 (2012) A67. Govindarajan M., Karabacak M., Periandy S., Tanuja D., "Spectroscopic (FT -IR, FT-Raman, UV and NMR) investigations and NLO, HOMO-LUMO, NBO analysis and computational study of organic 2,4,5- trichloroaniline", Spectrochimica Acta A: Mol. and Biomol. Spect., 97 (2012) A68. Kose E., Ataç A., Karabacak M., Karaca C., Eskici M., Karanfil A., "Synthesis, spectroscopic characterization and quantum chemical computational studies of (S) -N-benzyl-1-phenyl-5-(pyridin-2-yl)-pent-4-yn-2- amine", Spectrochimica Acta A: Mol. and Biomol. Spect., 97 (2012) A69. Karabacak M., Karaca C., Ataç A., Eskici M., Karanfil A., Kose E., "Synthesis, analysis of spectroscopic and non-linear optical properties of the novel compound:(s)-n-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine", Spectrochimica Acta A: Mol. and Biomol. Spect., 97 (2012) A70. Jayavarthanan T., Sundaraganesan N., Karabacak M., Cinar M., Kurt M., "Vibrational spectra, UV and NMR, first order hyperpolarizability and HOMO-LUMO analysis of 2-amino-4-chloro-6-methylpyrimidine", Spectrochimica Acta A: Mol. and Biomol. Spect., 97 (2012) A71. Karabacak M., Kose E., Ataç A., Cipiloglu M.A., Kurt M., "Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: A combined experimental and theoretical analysis", Spectrochimica Acta A: Mol. and Biomol. Spect., 97 (2012) A72. Balachandran V., Nataraj A., Karthick T., Karabacak M., Atac A., "FT- Raman, FT-IR, UV spectra and DFT and ab initio calculations on monomeric and dimeric structures of 3,5-pyridinedicarboxylic acid", Journal of Molecular Structure, 1027 (2012) A73. Govindarajan M., Karabacak M., "FT-IR, FT-Raman and UV spectral investigation; computed frequency estimation analysis and electronic structure calculations on 1-bromo-2-methylnaphthalene", Spectrochimica Acta A: Mol. and Biomol. Spect., 101 (2013) A74. Ramalingam S., Periandy S., Karabacak M., Karthikeyan N., " Spectroscopic (FT -IR/FT-Raman) and Computational (HF/DFT) invest igation and HOMO/LUMO/MEP analysis on 2-Amino-4-chlorophenol", Spectrochimica Acta A: Mol. and Biomol. Spect., 104 (2013) A75. Cinar M., Karabacak M., "Determination of conformational and spectroscopic features of ethyl trans-alfa-cyano-3-indole-acrylate compound: An experimental and quantum chemical study", Spectrochimica Acta A: Mol. and Biomol. Spect., 104 (2013) A76. Cinar M., Yildiz N., Karabacak M., Kurt M., "Determination of Structural, Spectrometric and Nonlinear Optical Features of 2-(4- hydroxyphenylazo)benzoic acid by Experimental Techniques and Quantum Chemical Calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 105 (2013) A77. Govindarajan M., Karabacak M., "DFT, HF and Vibrational analysis of 8/23

9 4-hydroxypteridine by experimental (FT-IR, FT-Raman and UV) and theoretical investigations", Journal of Molecular Structure, 1038 (2013) A78. Rajamani T., Muthu S., Karabacak M., "Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods", Spectrochimica Acta A: Mol. and Biomol. Spect., 108 (2013) A79. Sajan D., Vijayan N., Safakath K., Philip Reji, Karabacak M., "Multi- Photon Absorption effect and intra-molecular charge transfer of Donor-π- Acceptor Chromophore ethyl p-amino benzoate", Spectrochimica Acta A: Mol. and Biomol. Spect., 108 (2013) A80. Sinha L., Karabacak M., Narayan V., Cinar M., Prasad O., "Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of gabapentin with experimental (FT -IR and FT-Raman) techniques and quantum chemical calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 109 (2013) A81. Sajan D., Devi U., Safakath K., Philip R., Němec I., Karabacak M., "Ultrafast optical nonlinearity, Electronic absorption, Vibrational spectra and Solvent effect studies of Ninhydrin", Spectrochimica Acta A: Mol. and Biomol. Spect., 109 (2013) A82. Cinar M., Ozcan L., Karabacak M., Erol I., "Synthesis, Conformational and Spectroscopic Characterization of Monomeric Styrene Derivatives Having Pendant p-substituted Benzylic Ether Groups", Spectrochimica Acta A: Mol. and Biomol. Spect., 111 (2013) A83. Kose E., Bardak F., Atac A., Karabacak M., Cipiloglu M.A., "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", Spectrochimica Acta A: Mol. and Biomol. Spect., 114 (2013) A84. Karabacak M., Cinar M., Kurt M., Chinna Babu P., Sundaraganesan N., "Experimental and theoretical FTIR and FT-Raman spectroscopic analysis of 1- pyrenecarboxylic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 114 (2013) A85. Karabacak M., Bilgili S., Mavis T., Eskici M., Atac A., "Molecular structure, spectroscopic characterization (FT -IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 115 (2013) A86. Karabacak M., Sinha L., Prasad O., Asiri A.M., Cinar M., "An experimental and theoretical investigation of acenaphthene-5-boronic acid: Conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV-Vis. spectra", Spectrochimica Acta A: Mol. and Biomol. Spect., 115 (2013) A87. Cinar Z., Karabacak M., Cinar M., Kurt M., Chinna babu P., Sundaraganesan N., "The infrared, Raman, NMR and UV spectra, ab initio calculations and spectral assignments of 2-amino-4-chloro-6- methoxypyrimidine", Spectrochimica Acta A: Mol. and Biomol. Spect., 116 (2013) A88. Kose E., Atac A., Karabacak M., Nagabalasubramanian P.B., Asiri A.M., 9/23

10 Periandy S., "FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene", Spectrochimica Acta A: Mol. and Biomol. Spect., 116 (2013) A89. Karabacak M., Cinar M., Kurt M., Poiyamozhi A., Sundaraganesan N., "The spectroscopic (FT -IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride", Spectrochimica Acta A: Mol. and Biomol. Spect., 117 (2014) A90. Sivaranjini T., Periandy S., Govindarajan M., Karabacak M., Asiri A.M., "Spectroscopic (FT -IR, FT-Raman and NMR) and computational studies on 3- methoxyaniline", Journal of Molecular Structure, 1056 (2014) A91. Karabacak M., Kose E., Atac A., Asiri A.M., Kurt M., "Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5- difluorophenylboronic acid with experimental (FT -IR, FT-Raman, 1 H and 13 C NMR, UV) techniques and quantum chemical calculations", Journal of Molecular Structure, 1058 (2014) A92. Sinha L., Prasad O., Karabacak M., Mishra H.N., Narayan V., Asiri A.M., "Quantum-chemical (DFT, MP2) and spectroscopic studies (FT -IR and UV) of monomeric and dimeric structures of 2(3H)-Benzothiazolone", Spectrochimica Acta A: Mol. and Biomol. Spect., 120 (2014) A93. Karabacak M., Asiri A.M., Al-Youbi A.O., Qusti A.H., Cinar M., "Identification of Structural and Spectral Features of Synthesized Cyano- Stilbene Dye Derivatives: A Comparative Experimental and DFT Study", Spectrochimica Acta A: Mol. and Biomol. Spect., 120 (2014) A94. Muthu S., Rajamani T., Karabacak M., Asiri A.M., "Vibrational and UV spectra, first order hyperpolarizability, NBO and HOMO-LUMO analysis of 4- chloro-n-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide", Spectrochimica Acta A: Mol. and Biomol. Spect., 122 (2014) A95. Karakus M., Solak S., Hökelek T., Dal H., Bayrakdar A., Özdemir Kart S., Karabacak M., Kart H.H., "Synthesis, crystal structure and ab initio/dft calculations of a derivative of dithiophosphonates", Spectrochimica Acta A: Mol. and Biomol. Spect., 122 (2014) A96. Ciınar M., Coruh A., Karabacak M., "A comparative study of selected disperse azo dye derivatives based on spectroscopic(ft-ir, NMR and UV-Vis) and nonlinear optical behaviors", Spectrochimica Acta A: Mol. and Biomol. Spect., 122 (2014) A97. Karabacak M., Sinha L., Prasad O., Asiri A.M., Cinar M., Shukla V.K., "FT-IR, FT-Raman, NMR, UV and Quantum Chemical Studies on Monomeric and Dimeric Conformations of 3,5-dimethyl-4-methoxybenzoic acid", Spectrochimica Acta A: Mol. and Biomol. Spect., 123 (2014) A98. Atac A., Karaca C., Gunnaz S., Karabacak M., "Vibrational (FT-IR and FT-Raman), electronic (UV Vis), NMR ( 1 H and 13 C) spectra and reactivity analyses of 4,5-dimethyl-o-phenylenediamine", Spectrochimica Acta A: Mol. and Biomol. Spect., 130 (2014) A99. Sinha L., Prasad O., Chand S., Sachan A.K., Pathak S.K., Shukla V.K., Karabacak M., Asiri A.M., "FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations", Spectrochimica Acta A: Mol. and Biomol. Spect., 133 (2014) /23

11 7.2 Papers published in other refereed international journals B1. Böyükata M., Karabacak M., Özçelik S., Güvenç Z.B., Jellinek J., Structure and Dynamics of Pd13 Clusters, Bulgarian Journal of Physics, 27, (2000) B2. Karabacak M., Böyükata M., Özçelik S., Güvenç Z.B., Molecular Dynamics Study on the Structures And Melting of Pd9 Clusters, Bulgarian Journal of Physics, 27, (2000) B3. Kurt E., Karabacak M., Güvenç Z.B., Chaotic Properties Pd7 Cluster ", Balkan Physics Letters, 9/2, (2001) B4. Çınar M., Karabacak M., Kurt M., Vibrational Spectroscopy Investigation Using ab initio and Density Functional Theory Analysis of the Structure N Methylmaleimide, Balkan Physics Letters, Special Issue, (2008) B5. Dermez R., Karabacak M., Kurt M., Comparison of experimental and Density Functional Theory and ab initio Hartree Fock vibrational spectra of N, N Diisobuthylformamide, Balkan Physics Letters, Special Issue, (2008) B6. Ermeç Ş., Çınar M., Karabacak M., Ab initio and Density Functional Study on the Molecular Structure, Infrared and Raman Spectra, Assigment for Benzenesulfonamide, Balkan Physics Letters, Special Issue, (2008) B7. Çınar M., Ermeç Ş., Karabacak M., Kurt M., Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen nicotinic acid, 4-X-C6H4NO2 (X = F, Cl or Br), Balkan Physics Letters, Special Issue Vol. 15(1), (2009) , B8. Çınar M., Karabacak M., Çoruh A., Kurt M., Theoretical investigation on the molecular structure, Vibrational and NMR spectra of N,N,4- Trichlorobenzenesulfonamide, Balkan Physics Letters, Special Issue Vol. 15(1), (2009) , B9. Çınar M., Karabacak M., Çoruh A., Kurt M., Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of tropolone and 5-cyanotropolone, Balkan Physics Letters, Special Issue Vol. 15(1), (2009) , 1 9. B10. Ünal Z., Çınar M., Karabacak M., Kurt M., Study of the spectroscopic and second-order nonlinear optical properties of N-(2 and 4- chlorophenyl)acetamide, Balkan Physics Letters, Special Issue Vol. 15(1), (2009) , 1 9. B11. Ünal Z, Çınar M., Karabacak M., Kurt M, "A DFT study on the molecular structure, Vibrational and NMR spectra of 4- Methoxybenzohydrazide", Balkan Physics Letters, 18, (2010) /23

12 7.3 Papers presented at international conferences and published in the proceedings C1. Karabacak M., Böyükata M., Özçelik S., Güvenç Z.B., Jellinek, J., Molecular Dynamics Study on the Structures And Melting of Pd9 Clusters, BPU-4 Fourth General Conference of the Balkan Physics Union, pp. 36, August 2000, Veliko Turnovo BULGARIA, C2. Böyükata M., Karabacak M., Özçelik S., Güvenç Z.B., Jellinek, J., Structure and Dynamics of Pd13 Clusters, ECOSS-20, pp. 36, August 2000, Veliko Turnovo BULGARIA, C3. Kurt E., Karabacak M., Güvenç Z.B., Chaotic Properties Pd7 Cluster, BPU-4 Fourth General Conference of the Balkan Physics Union, pp. 36, August 2000, Veliko Turnovo BULGARIA, C4. Karabacak M., Özçelik S., Güvenç Z.B., Structures And Energetics of Pdn (n = 2-20) Clusters Using An Embedded-Atom Model Potential, ECOSS- 20, pp. 156, 4 7 September 2001, Krakow, POLAND, C5. Karabacak M., Özçelik S., Güvenç Z.B., Structures and Energetics of Pd21-Pd55 Clusters, NANO-7/ECOSS-21, pp. 99, June 2002, Malmö, SWEDEN, C6. Karabacak M., Özçelik S., Güvenç Z.B., Melting of Pdn (n=12, 13, 14, 15, 18, 19, 20, 54, 55, and 56) Clusters, ECOSS-22, 7-12 September 2003, Praha, CZECH REPUBLIC, C7. Selamet Ö.F., Karabacak M., Özçelik S., Güvenç Z.B., Global Minima of Pdn (56-80) Clusters described by Voter-Chen Version of Embedded Atom Potentials, IV th International Conference and Festival of Physics Students, pp. 62, September 2005, İzmir, TURKEY, C8. Akkaya F., Karabacak M., Yalım H.A., Poyraz M., Ünal R., Kartal Z., Vibrational spectroscopic investigation of M(4-Chlorobenzylcyanide)2Ni(CN)4 (M = Cd, Ni, and Co) Hoffman complexes, 23 rd international Physics Congress, pp. 408, September 2005, Muğla, TURKEY, C9. Karabacak M., Özçelik S., Güvenç Z.B., Molecular dynamics simulation of the melting behaviours of 38-, 39-, 40- atom palladium clusters, 23 rd international Physics Congress, pp. 415, September 2005, Muğla, TURKEY, C10. Karabacak M., Selamet Ö.F., Özçelik S., Güvenç Z.B., Global Minima of PdN,N80, Clusters using Molecular dynamics and Thermal Quenching Simulations, 24 th international Physics Congress, 23 rd international Physics Congress, pp. 119, September 2005, Muğla, TURKEY, C11. Ermeç Ş., Çınar M., Karabacak M., Ab initio and Density Functional Study on the Molecular Structure, Infrared and Raman Spectra, Assigment for Benzenesulfonamide, 24 th international Physics Congress, pp. 271, August 2007, Malatya, TURKEY, C12. Dinçer C., Çınar M., Karagöz D., Karabacak M., Molecular Structure and Vibrational Spectra of 2-Bromonicotinic Acid by Density Functional Theory and Ab Initio Hartree-Fock Calculations, 24 th international Physics Congress, pp. 272, August 2007, Malatya, TURKEY, /23

13 C13. Dermez R., Karabacak M., Comparison of experimental and Density Functional Theory and ab initio Hartree Fock vibrational spectra of N, N Diisobuthylformamide, 24 th international Physics Congress, pp. 279, August 2007, Malatya, TURKEY, C14. Çınar M., Karabacak M., Kurt M., Vibrational Spectroscopy Investigation Using ab initio and Density Functional Theory Analysis of the Structure N Methylmaleimide, 24 th international Physics Congress, pp. 159, August 2007, Malatya, TURKEY, C15. Şişe Ö., Zouros T.J.M., Ulu M., Okumuş N., Çınar M., Karabacak M., Doğan M., Novel and traditional fringing field correction schemes for the hemispherical analyzer, XXV International Conference on Photonic, Electron, pp. 55, July 2007, Freiburg, GERMANY, C16. Çınar M., Karabacak M., Çoruh A., Kurt M., Theoretical investigation on the molecular structure, Vibrational and NMR spectra of N,N,4- Trichlorobenzenesulfonamide, 25 th international Physics Congress, pp. 47, August, Bodrum, TURKEY, C17. Çınar M., Karabacak M., Çoruh A., Kurt M., Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of tropolone and 5-cyanotropolone, 25 th international Physics Congress, pp. 48, August, Bodrum, TURKEY, C18. Ünal Z., Çınar M., Karabacak M., Kurt M., Study of the spectroscopic and second-order nonlinear optical properties of N-(2 and 4- chlorophenyl)acetamide, 25 th international Physics Congress, pp. 79, August, Bodrum, TURKEY, C19. Çınar M., Karabacak M., Kurt M., Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen nicotinic acid, 4-X-C6H4NO2 (X = Cl, Br or F), 25 th international Physics Congress, pp. 46, August, Bodrum, TURKEY, C20. Çınar M., Karabacak M., Çoruh A., Kurt M., "A DFT Study on 4- Nitrostilbene", 26th international Physics Congress, September, Bodrum, TURKEY, C21. Köse E., Çınar M., Karabacak M., Kurt M., "Computational study on the molecular structure, Infrared and Raman spectra, and Vibrational assignment for 2-Chloro-3-Methylquinoline", 26th international Physics Congress, September, Bodrum, TURKEY, C22. Ünal Z., Çınar M., Karabacak M., Kurt M., "A DFT study on the molecular structure, Vibrational and NMR spectra of 4- Methoxybenzohydrazide", 26th international Physics Congress, September, Bodrum, TURKEY, C23. Postalcılar E., Çınar M., Karabacak M., Kurt M., "Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of 4-Ethylphenole", 26th international Physics Congress, September, Bodrum, TURKEY, C24. Köse E., Karabacak M., "Theoretical Investigation on the molecular structure, Infrared and Raman spectra, and Vibrational assignment for 5- Aminopyrazine-2-Carboxylic Acid", 27th international Physics Congress, September, İstanbul, TURKEY, /23

14 C25. Postalcılar E., Karabacak M., "Experimental and Theoretical investigation on the molecular structure, Infrared and Raman spectra, and Vibrational assignment for 2-, 3-, 4-Nitrobenzenesulfonamide", 27th international Physics Congress, September, İstanbul, TURKEY, C26. Ataç A., Karabacak, M., Karaca C., Köse E., "FT-IR, FT-Raman, UV, NMR Spectra and Molecular Structure Investigation of Nicotinic Acid N-Oxide: A Combined Experimental and Theoretical Study", Advances in Applied Physics & Materials Science Congress, May, Antalya, TURKEY, C27. Ataç A., Karabacak M., Köse E., Karaca C., "Theoretical Investigation and Spectroscopic Analyze of Nicotinamide N-Oxide with Density Functional Theory", Advances in Applied Physics & Materials Science Congress, May, Antalya, TURKEY, C28. Ataç A., Karaca C., Köse E., Eskici M., Karanfil A., Karabacak, M., "Synthesis; Experimental and Theoretical Spectroscopic Analysis (FT-IR, NMR, UV) of N-Benzyl-1-Phenyl-5-(Thiophen-3-Yl)-4-Pentyn-2-Amine", 28th international Physics Congress, 6-9 September 2011, Bodrum, TURKEY, C29. Bilgili S., Ataç A., Maviş T., Karabacak, M., "Synthesis, Spectroscopic and Theoretical Study on Some Metal (II) Halide Complexes of 3,4 - Pyridinedicarboxylic Acid", 28th international Physics Congress, 6-9 September 2011, Bodrum, TURKEY, C30. Çınar M., Çınar Z., Karabacak M., "The Substituent Effect on The Equuilibrium Structure and Spectroscopic Behaviours of 2-Amino-4-X-Benzoic Acid Derivatives (X= F, Cl, Br)", 28th international Physics Congress, 6-9 September 2011, Bodrum,TURKEY, C31. Çınar Z., Karabacak M., "Structural and Spectroscopic Characterization of 4-Buthylbenzoic Acid Using Experimental (FT -IR, FT-Raman, UV-Vis) Teqhniques and Quantum Chemical Calculations", 28th international Physics Congress, 6-9 September 2011, Bodrum,TURKEY, C32. Çınar Z., Çınar M., Karabacak M., "A Comperative Theoretical Study of Fe(III), Cu(II), Ni(II) and Zn(II) Metal Complexes of 2,3/2,4-Difluorobenzoic Acid", 28th international Physics Congress, 6-9 September 2011, Bodrum,TURKEY, C33. Ataç A., Köse E., Karaca Ç., Eskici M., Karanfil A., Karabacak M., "Synthesis and Spectroscopic (FT -IR, NMR, UV) Analysis of (S) -N-Benzyl-1- Phenyl-5-(Pyridin-2-Yl)-Pent-4-Yn-2-Amine; A Combined Density Functional Theory", 28th international Physics Congress, 6-9 September 2011, Bodrum,TURKEY, C34. Ataç A., Maviş T., Bilgili S., Karabacak, M., "Synthesis, Experimental And Theoretical FT-IR Spectroscopic Analysis Of Nicotinic Acid N-Oxide Metal(II) Halide Complexes", 28th international Physics Congress, 6-9 September 2011, Bodrum, TURKEY, C35. Karaca Ç., Ataç A., Karabacak M., "Theoretical Studies of isonicotinic acid N-oxide", 29th international Physics Congress, 5-8 September 2012, Bodrum,TURKEY, C36. Bilgili S., Ataç A., Maviş T., Karabacak, M., "FT-IR, FT-Raman Spectral Investigation and Theoretical Study of 2,3-Pyridinedicarboxylic acid", 29th international Physics Congress, 5-8 September 2012, Bodrum, TURKEY, C37. Maviş T., Ataç A., Bilgili S., Karabacak, M., "Spectroscopic (FT-IR AND 14/23

15 FT-Raman) Analysis and Theoretical Investigation of 2,4-Pyridinedicarboxylic acid with Density Functional Theory", 29th international Physics Congress, 5-8 September 2012, Bodrum, TURKEY, C38. Köse E., Ataç A., Karabacak M., "Quantum Chemical Study on 1- Methyl-3-phenylpropylamine with combined an experimental (NMR, FT-IR and FT-Raman): The structural and spectroscopic characterization", 29th international Physics Congress, 5-8 September 2012, Bodrum, TURKEY, C39. Kurt M., Karabacak M., Okur S., Sayın S., Yilmaz M., "Synthesis, FT- IR, FT-Raman and dispersive Raman spectroscopic study of a host molecule (=C52H72N4O12Si2) which potential applications in sensor devices", Raman Fest 2013 Symposium, May 2013, Lille, France, C40. Karaca C., Atac A., Karabacak M., "Structural, Electronic and Vibrational Properties of 5-Iodo-Salicylic Acid From Ab Initio Calculations", 30th international Physics Congress, 2-5 September 2013, Istanbul, TURKEY, C41. Bilgili S., Karabacak M., Atac A., "An investigation of structural, spectroscopic (by FT-IR, FT-RAMAN and NMR Techniques) and thermodynamically features of 5-Chloro-2-Methoxyaniline by quantum chemical calculations", 30th international Physics Congress, 2-5 September 2013, Istanbul, TURKEY, C42. Kose E., Atac A., Karabacak M., "The structural and spectroscopic characterization of 3-methyl-1-phenylpyrazole using density functional theory comparing an experimental techniques; NMR, FT-IR and FT-Raman", 30th international Physics Congress, 2-5 September 2013, Istanbul, TURKEY, C43. Mavis T., Atac A., Karabacak M., "Theoretical study contained (FT-IR, FT-RAMAN and NMR techniques), structural characterization and thermodynamically properties of gallic acid", 30th international Physics Congress, 2-5 September 2013, Istanbul, TURKEY, C44. Atac A., Karabacak M., Kose E., Kurt M., "Structural and spectroscopic properties of 3-Fluorophenylboronic acid on experimental and theoretical approach", XIIth International Conference on Molecular Spectroscopy, 8-12 September 2013, Krakow, Poland, C45. Cinar M., Karabacak M., "A comparative study on 9- Anthracenecarboxylic acid basing on spectroscopic (FT-IR, FT-RAMAN, NMR and UV-VIS) characterization and density functional calculations", XIIth International Conference on Molecular Spectroscopy, 8-12 September 2013, Krakow, Poland, C46. Cipiloglu M.A., Karabacak M., Asiri A.M., Arshad M.N., Qusti A.H. "Analaysis the spectroscopic (IR, RAMAN NMR and UV-vis,) properties of 3- Hydroxy-2-(Toluene-4-Sulfonylamino)-Propionic acid combined theoretical density functional theory", XIIth International Conference on Molecular Spectroscopy, 8-12 September 2013, Krakow, Poland, C47. Karabacak M., Bilgili S., Atac A., "Theoretical study on molecular structure and vibrational analysis included FT-IR and FT-RAMAN techniques of 2,4,5-trimethylbenzoic acid using density functional theory", XIIth International Conference on Molecular Spectroscopy, 8-12 September 2013, Krakow, Poland, C48. Kurt M., Calisir Z., Atac A., Karabacak M., "Theoretical and 15/23

16 experimental study of molecular structure and vibrational spectra of Ethyl-6- Chloro-Nicotinate Molecule by density functional theory", XIIth International Conference on Molecular Spectroscopy, 8-12 September 2013, Krakow, Poland, C49. Karaca C., Atac A., Karabacak M., "Experimental and Quantum Chemical Study on 1-Methylindole", Turcmos 2013 international Turkish Congress on Molecular Spectroscopy, September 2013, Istanbul, TURKEY, C50. Atac A., Kose E., Karabacak M., Kurt M., "Experimental (FT-IR, FT- Raman, UV, 1 H and 13 C NMR) and computational (Density functional theory) studies on 3-bromophenylboronic acid", Turcmos 2013 international Turkish Congress on Molecular Spectroscopy, September 2013, Istanbul, TURKEY, C51. Cinar M., Karabacak M., "The spectroscopic characterization of 5- methoxyindole-2-carboxylic acid: A combined density functional and experimental (NMR, UV, FT -Raman and FT-IR) study", Turcmos 2013 international Turkish Congress on Molecular Spectroscopy, September 2013, Istanbul, TURKEY, C52. Karabacak M., Bilgili S., Atac A., "Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3,3 Diaminobenzidene with DFT quantum chemical calculations", Turcmos 2013 international Turkish Congress on Molecular Spectroscopy, September 2013, Istanbul, TURKEY, C53. Karabacak M., Mavis T., Atac A., "Molecular structure investigation and spectroscopic studies on 5-Brom o-2-chlorotoluene: A combined experimental and theoretical analysis", Turcmos 2013 international Turkish Congress on Molecular Spectroscopy, September 2013, Istanbul, TURKEY, Books or book chapters in international publications 7.5. Papers published in the refereed national journals 7.6. Papers presented at national conferences and published in the proceedings D1. Karabacak M., Böyükata M., Özçelik S., Güvenç D., Güvenç Z.B., Mikro Pdn Topaklarının Minimum Enerji Yapıları ve Dağılım Fonksiyonlarının Belirlenmesi, TFD-18 Türk Fizik Derneği 18. Fizik Kongresi, pp. 35, Ekim 1999, Çukurova Üniversitesi, ADANA, D2. Böyükata M., Durmuş P., Karabacak M., Özçelik S., Güvenç Z.B., Pd14+D2 Etkileşmesi: Reaktif Kanal, TFD-18 Türk Fizik Derneği 18. Fizik Kongresi, pp. 106, Ekim 1999, Çukurova Üniversitesi, ADANA, D3. Karabacak M., Böyükata M., Özçelik S., Güvenç Z.B., Jellinek J., Molecular Dynamics Computer Simulation of Pdn (n=4-14) Clusters, III. Ulusal Atom ve Molekül Fiziği Sempozyumu, pp. 77, Mayıs 2000, ERZURUM, D4. Karabacak M., Böyükata M., Özçelik S., Güvenç Z.B., Jellinek J., Melting of Small Palladium Clusters, III. Ulusal Atom ve Molekül Fiziği 16/23

17 Sempozyumu, pp. 56, Mayıs 2000, ERZURUM, D5. Karabacak M., Özçelik S., Güvenç Z.B., Jellinek J., Molecular Dynamics Study of the Binding Energy, Structures and Melting of Pd4, Pd5 and Pd6 Clusters, TFD-19 Türk Fizik Derneği 19. Fizik Kongresi, pp. 12, Eylül 2000, Fırat Üniversitesi, ELAZIĞ, D6. Karabacak M., Özçelik S., Güvenç Z.B., Jellinek J., Structures and Energetics of Pd19 Clusters Using the Embedded-Atom Model Potential, TFD- 19 Türk Fizik Derneği 19. Fizik Kongresi, pp. 11, Eylül 2000, Fırat Üniversitesi, ELAZIĞ, D7. Karabacak M., Özçelik S., Güvenç Z.B., Molecular Dynamics Computer Simulation Study of Pdn(13, 19, 38, 55) Clusters, TFD-21 Türk Fizik Derneği 21. Fizik Kongresi, pp. 89, Eylül 2002, Süleyman Demirel Üniversitesi, ISPARTA, D8. Karabacak M., Özçelik S., Güvenç Z.B., Structure and Dynamics of Small Clusters Using an Embedded-Atom Potential: Pdn(4-11), TFD-21 Türk Fizik Derneği 21. Fizik Kongresi, pp. 49, Eylül 2002, Süleyman Demirel Üniversitesi, ISPARTA, D9. Ermeç Ş., Çınar M., Karagöz D., Karabacak M., Benzenesulfunamide in Hartree Fock ve Yoğunluk Fonksiyon Teorisi Kullanılarak Moleküler Yapısının ve Titreşim Frekanslarının İncelenmesi, X. Ulusal Spektroskopi Kongresi, pp. 81, 4 7 Temmuz 2007, İzmir Yüksek Teknoloji Enstitüsü, İzmir, TURKEY, D10. Çınar M., Karabacak M., N-Methylmaleimide in Hartree Fock ve Yoğunluk Fonksiyon Teorisi kullanılarak Moleküler Yapısının ve Titreşim Frekanslarının İncelenmesi, X. Ulusal Spektroskopi Kongresi, pp. 83, 4 7 Temmuz 2007, İzmir Yüksek Teknoloji Enstitüsü, İzmir, TURKEY, D11. Dinçer C., Çınar M., Karagöz D., Karabacak M., 2, 4, 6- trinitropyridine in Hartree Fock ve Yoğunluk Fonksiyon Teorisi Kullanılarak Moleküler Yapısının ve Titreşim Frekanslarının İncelenmesi, X. Ulusal Spektroskopi Kongresi, pp. 82, 4 7 Temmuz 2007, İzmir Yüksek Teknoloji Enstitüsü, İzmir, TURKEY, D12. Karabacak M., Şahin E., Çınar M., Erol İ., Kurt M., An Experimental and Theoretical IR, Raman and X-Ray Study of 2-[(5-methylisoxazol-3- yl)amino]-2-oxo-ethyl methacrylate, 11. Ulusal Sıvıhal Fiziği Sempozyumu, pp. 9, EYLÜL 2007, İSTANBUL, D13. Cinar M., Unal Z., Karabacak M., "A DFT Study on N-(2,3- methylphenyl)methanesulfonamide: Structural Characterization, IR, Raman and NMR Spectroscopic Investigation", ADIM FİZİK GÜNLERİ - I, Mayıs 2010, Afyon Kocatepe Üniversitesi, Afyonkarahisar,TURKEY, D14. Unal Z., Cinar M., Karabacak M., "A Quantum Mechanical Approach of Molecular Geometry, Vibrational Analysis and NMR Chemical Shifts of N-(3- Chlorophenyl) Methanesulfonamide Based on DFT Method", ADIM FİZİK GÜNLERİ - I, Mayıs 2010, Afyon Kocatepe Üniversitesi, Afyonkarahisar,TURKEY, D15. Postalcılar E., Karabacak, M., "2-, 3-, 4-Nitrobenzenesulfonamide Moleküllerinin Yapılarının ve Titreşim Frekanslarının İncelenmesi", ADIM FİZİK GÜNLERİ-I, Mayıs 2010, Afyon Kocatepe Üniversitesi, Afyonkarahisar,TURKEY, /23

18 D16. Çınar M., Karabacak M., "Ethyl trans-alfa-cyano-3-indole-acrylate Bileşiğinin Yapısal ve Spektroskopik Karakterizasyonu", ADIM FİZİK GÜNLERİ II, Nisan 2012, Pamukkale Üniversitesi, Denizli, TURKEY, D17. Kose E., Atac A., Karabacak M., "Molecular Structure, NMR, Infrared and Raman Spectra, HOMO-LUMO analysis of p-tolylacetonitrile", ADIM FİZİK GÜNLERİ II, Nisan 2012, Pamukkale Üniversitesi, Denizli, TURKEY, D18. Karaca Ç., Atac A., Karabacak M., "A DFT study on the structural and spectroscopic properties of 3-nitrocinnamic acid", ADIM FİZİK GÜNLERİ II, Nisan 2012, Pamukkale Üniversitesi, Denizli, TURKEY, D19. Kose E., Atac A., Karabacak M., "Molecular structure, NMR, infrared spectra, HOMO-LUMO analysis of 2-fluoro-4-hydroxybenzonitrile", 8th Nanoscience and Nanotechnology Congress, June 2012, Hacettepe University, Ankara, TURKEY, D20. Bilgili S., Atac A., Mavis T., Eskici M., Karabacak M., "Determination of structural and vibrational spectroscopic properties of 3-ethynylthiophene using FT-IR, FT-Raman, UV and NMR experimental techniques combined DFT quantum chemical calculations", 8th Nanoscience and Nanotechnology Congress, June 2012, Hacettepe University, Ankara, TURKEY, D21. Mavis T., Atac A., Bilgili S., Eskici M., Karabacak M., "Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of 2- ethynylpyridine with density functional theory", 8th Nanoscience and Nanotechnology Congress, June 2012, Hacettepe University, Ankara, TURKEY, D22. Karaca C., Atac A., Karabacak M., Günnaz S., Cipiloglu M.A., "Structural, vibrational, electronic, NMR and reactivity analyses of 4,5- Dimethylphenylene-1,2-diamine with experimental techniques and quantum chemical calculations", 8th Nanoscience and Nanotechnology Congress, June 2012, Hacettepe University, Ankara, TURKEY, D23. Karaca C., Atac A., Karabacak M., Cipiloglu M.A., "Molecular Structure and spectroscopic properties of 4-hydroxyacetanilide", 8th Nanoscience and Nanotechnology Congress, June 2012, Hacettepe University, Ankara, TURKEY, D24. Bayrakdar A., Elçi S., Özdemir Kart S., Kart H.H., Deligöz H., Karabacak M., "Kromojenik Grup İçeren Yeni Di-Sübsititüe Azokaliks[4]Arenin Ab Initio Yöntemi ile Özelliklerinin İncelenmesi", X. Ulusal Spektroskopi Kongresi, Mayıs 2013, Mehmet Akif Ersoy Üniversitesi, Burdur, TURKEY, D25. Kurt M., Babür Şaş E., Karabacak M., "Vibrational spectra of 5-bromo- 2-ethoxyphenylboronic acid Molecule", X. Ulusal Spektroskopi Kongresi, Mayıs 2013, Mehmet Akif Ersoy Üniversitesi, Burdur, TURKEY, Other publications Master Thesis Karabacak, M., Molecular Lasers and their fundamental properties. Advisor: Assoc. Prof. Dr. Mustafa Kumru, Dumlupınar University, /23

19 PhD Thesis Karabacak, M., Investigation of geometrical structures and melting behaviour of Pdn atomic clusters, Advisor: Assoc. Prof. Dr. Süleyman Özçelik, Gazi University, Projects Bazı Konak-Konuk ve Konak Bileşiklerinin Infrared (Titreşim) Spektroskopisi Yöntemi ile İncelenmesi, Bireysel proje, Afyon Kocatepe Üniversitesi Bilimsel Araştırmalar Fonu, 051.FENED.07, Proje Yöneticisi, Bazı Organik Ligandların Titreşimsel Spektrumlarının Deneysel ve Teorik (Yoğunluk Fonksiyon Teorisi ve ab initio Hartree Fock metodu ile) olarak karşılaştırılması, Tez projesi, Afyon Kocatepe Üniversitesi Bilimsel Araştırmalar Fonu, 08.FENED.05, Proje Yöneticisi, Organik Bileşenlerin Elektronik Geçişlerinin ve Yük Dağılımlarının Deneysel (Ultroviole spektroskopisi ile) ve Teorik (Yoğunluk Fonksiyon Teorisi ve ab initio Hartree Fock metodu ile) ile belirlenmesi; Afyon Kocatepe Üniversitesi Bilimsel Araştırmalar Fonu, 10.FENED.04; Proje Yöneticisi, ,6-Diflorfenilboronik Asit ve 2,3,6-Triflorfenilboronik Asit Moleküllerinin Spektroskopik Özelliklerinin Deneysel ve Teorik Olarak İncelenmesi; Afyon Kocatepe Üniversitesi Bilimsel Araştırmalar Fonu, 11.FEN.BİL.09; Proje Yöneticisi, Bazı Benzoik Asit Türevlerinin Spektroskopik Özelliklerinin Deneysel ve Teorik Olarak İncelenmesi; Afyon Kocatepe Üniversitesi Bilimsel Araştırmalar Fonu, 11.FEN.BİL.05; Yardımcı Araştırmacı, Bazı kinolon türevi moleküllerin titreşimsel özelliklerinin spektroskopik yöntemler kullanılarak deneysel ve teorik olarak incelenmesi; Celal Bayar Üniversitesi Bilimsel Araştırmalar Fonu, ; Yardımcı Araştırmacı, Administrative duties 10. Memberships in scientific organizations 11. Awards 12. Editors and Referees Analytical Letters (SCI) Chemistry Central Journal (SCI) Indian Journal of Pure & Applied Physics (SCI) Journal of Chemical & Engineering Data (SCI) Journal of Experimental Nanoscience (SCI) Journal of Molecular Modeling (SCI) Journal of Molecular Structure (SCI) Journal of Photochemistry and Photobiology B: Biology (SCI) Materials Chemistry and Physics (SCI) Molecular Physics (SCI) 19/23

20 Molecular Simulation (SCI) ScienceAsia (SCI) Spectrochimica Acta (SCI) Spectroscopy Letters (SCI) Structural Chemistry (SCI) Vibrational Spectroscopy (SCI) Arabian Journal of Chemistry (SCI Expanded) Journal of Saudi Chemical Society (SCI Expended) African Journal of Microbiology Research (Chemical Abstracts) European Journal of Chemistry (Chemical Abstracts) Indian Journal of Physics (Chemical Abstracts) International Journal of Spectroscopy (Chemical Abstracts) International Research Journal of Pure and Applied Chemistry (Chemical Abstracts) Journal of natural science biology and medicine (Chemical Abstracts) Magnetic Resonance Insights (Chemical Abstracts) Turkish Journal of Physics (Chemical Abstract and Engineering index) Afyon Kocatepe Üniversitesi Fen Bilimleri Dergisi International Journal of Industrial Chemistry International Research Journal of Pure and Applied Chemistry Journal of Biophysical Chemistry 13. Other activities ADIM-I Physics Days, Afyonkarahisar, Organizing Committee Member 8th National Congress of Physics Students, June 2012, Sakarya, Scientific Board Member International Conference on Molecular Spectroscopy of Advanced Materials & Biomolecules (IMSAB -2012), 7-8 August 2012, Kerala, India, International Steering Committee 14. Undergraduate and graduate courses given in the last two years Akademik Yıl Dönem Güz Haftalık Dersin Adı Saati Teo Uyg Fizik-I (Malzeme Müh.) 2 1 Fizik-I (Harita Müh.) 2 1 Fizikte Matematiksel Yöntemler-I 6 0 Spektroskopi-I 2 0 Kuantum Mekaniği-I 2 0 Lisans Tezi-I 0 2 Spektroskopi Yöntemleri-I (lisansüstü) 3 0 Yüksek Lisans Danışmanlık(lisansüstü) 0 4 Uzmanlık Alan Dersi (Tez Yönetimi) 8 0 Infared ve Raman Spektroskopisi 2 0 İlkbahar /Yaz 20/23