Öğr. Gör. MESUT KARABACAK

1. A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate

Srivastava R., Al-Omary F. A., El-Emam A. A., Pathak S. K., Karabacak M., Narayan V., et al.

Journal of Molecular Structure , cilt.1137, ss.725-741, 2017 (SCI-Expanded)

2. 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

Issaoui N., Ghalla H., BARDAK F., Karabacak M., Aouled Dlala N., Flakus H., et al.

Journal of Molecular Structure , cilt.1130, ss.659-668, 2017 (SCI-Expanded)

3. Conformational, electronic, and spectroscopic characterization of isophthalic acid (monomer and dimer structures) experimentally and by DFT

BARDAK F., KARACA Ç., Bilgili S., ATAÇ A., Mavis T., Asiri A., et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.165, ss.33-46, 2016 (SCI-Expanded)

4. Synthesis and spectroscopic characterization on 4-(2,5-di-2-thienyl-1H-pyrrol-1-yl) benzoic acid: A DFT approach

Kurt M., Sas E. B., Can M., Okur S., Icli S., Demic S., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.152, ss.8-17, 2016 (SCI-Expanded)

5. Synthesis, molecular structure, spectral investigation on (E)-1-(4-bromophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one

Asiri A., Karabacak M., Sakthivel S., Al-Youbi A., Muthu S., Hamed S., et al.

Journal of Molecular Structure , cilt.1103, ss.145-155, 2016 (SCI-Expanded)

6. Synthesis and investigation of the properties of novel azocalix[4]arenes

Kart H., Bayrakdar A., Elcin S., Deligoz H., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.146, ss.151-162, 2015 (SCI-Expanded)

7. Spectral investigation and theoretical study of zwitterionic and neutral forms of quinolinic acid

Karabacak M., Sinha L., Prasad O., Bilgili S., Sachan A. K., Asiri A., et al.

Journal of Molecular Structure , cilt.1095, ss.100-111, 2015 (SCI-Expanded)

8. FT-IR, FT-Raman, dispersive Raman, NMR spectroscopic studies and NBO analysis of 2-Bromo-1H-Benzimidazol by density functional method

Sas E., Kurt M., Karabacak M., Poiyamozhi A., Sundaraganesan N.

Journal of Molecular Structure , cilt.1081, ss.506-518, 2015 (SCI-Expanded)

9. Spectral features, electric properties, NBO analysis and reactivity descriptors of 2-(2-Benzothiazolylthio)-Ethanol: Combined experimental and DFT studies

Srivastava R., Sinha L., Karabacak M., Prasad O., Pathak S., Asiri A., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.136, sa.PC, ss.1205-1215, 2015 (SCI-Expanded)

10. Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations

Balachandran V., Santhi G., Karpagam V., Revathi B., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.136, sa.PB, ss.451-463, 2015 (SCI-Expanded)

11. Synthesis and DFT calculation of a novel 5,17-di(2-antracenylazo)-25,27-di(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene

Bayrakdar A., Kart H., Elcin S., Deligoz H., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.136, sa.PB, ss.607-617, 2015 (SCI-Expanded)

12. DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid

Karabacak M., KÖSE E., Sas E., Kurt M., Asiri A., ATAÇ A.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.136, ss.306-320, 2015 (SCI-Expanded)

13. FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures)

Köse E., Şas E., Kurt M., Karabacak M.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.137, ss.1315-1333, 2015 (SCI-Expanded)

14. Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline

Pathak S., Srivastava R., Sachan A., Prasad O., Sinha L., Asiri A., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.135, ss.283-295, 2015 (SCI-Expanded)

15. Synthesis, structure, spectroscopic studies (FT-IR, FT-Raman and UV), normal coordinate, NBO and NLO analysis of salicylaldehyde p-chlorophenylthiosemicarbazone

Muthu S., Elamurugu Porchelvi E., Karabacak M., Asiri A., Swathi S. S.

Journal of Molecular Structure , cilt.1081, ss.400-412, 2015 (SCI-Expanded)

16. FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations

Sinha L., Prasad O., Chand S., Sachan A., Pathak S., Shukla V., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.133, ss.165-177, 2014 (SCI-Expanded)

17. A combined experimental and theoretical investigation of 2-Thienylboronic acid: Conformational search, molecular structure, NBO, NLO and FT-IR, FT-Raman, NMR and UV spectral analysis

Sachan A., Pathak S., Sinha L., Prasad O., Karabacak M., Asiri A.

Journal of Molecular Structure , cilt.1076, ss.639-650, 2014 (SCI-Expanded)

18. Experimental (FT-IR, FT-Raman, UV-Vis, ¹H and ¹³C NMR) and computational (density functional theory) studies on 3-bromophenylboronic acid

Karabacak M., KÖSE E., ATAÇ A., Sas E., Asiri A., Kurt M.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1076, ss.358-372, 2014 (SCI-Expanded)

19. Synthesis, crystal structure and ab initio/DFT calculations of a derivative of dithiophosphonates

Karakus M., Solak S., Hökelek T., DAL H., Bayrakdar A., Özdemir Kart S., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.122, ss.582-590, 2014 (SCI-Expanded)

20. Identification of structural and spectral features of synthesized cyano-stilbene dye derivatives: A comparative experimental and DFT study

Karabacak M., Asiri A., Al-Youbi A., Qusti A., Cinar M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.120, ss.144-150, 2014 (SCI-Expanded)

21. Spectroscopic (FT-IR, FT-Raman and NMR) and computational studies on 3-methoxyaniline

Sivaranjini T., Periandy S., Govindarajan M., Karabacak M., Asiri A.

Journal of Molecular Structure , cilt.1056-1057, sa.1, ss.176-188, 2014 (SCI-Expanded)

22. The spectroscopic (FT-IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride

Karabacak M., Cinar M., Kurt M., Poiyamozhi A., Sundaraganesan N.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.117, ss.234-244, 2014 (SCI-Expanded)

23. Quantum-chemical (DFT, MP2) and spectroscopic studies (FT-IR and UV) of monomeric and dimeric structures of 2(3H)-Benzothiazolone

Sinha L., Prasad O., Karabacak M., Mishra H., Narayan V., Asiri A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.120, ss.126-136, 2014 (SCI-Expanded)

24. Vibrational and UV spectra, first order hyperpolarizability, NBO and HOMO-LUMO analysis of 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl- benzamide

Muthu S., Rajamani T., Karabacak M., Asiri A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.122, ss.1-14, 2014 (SCI-Expanded)

25. FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene

Köse E., Ataç A., Karabacak M., Nagabalasubramanian P., Asiri A., Periandy S.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.116, ss.622-634, 2013 (SCI-Expanded)

26. Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

Sajan D., Devi T. U., Safakath K., Philip R., Němec I., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.109, ss.331-343, 2013 (SCI-Expanded)

27. Multi-photon absorption effect and intra-molecular charge transfer of donor-π-acceptor chromophore ethyl p-amino benzoate

Sajan D., Vijayan N., Safakath K., Philip R., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.108, ss.197-210, 2013 (SCI-Expanded)

28. 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

Rajamani T., Muthu S., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.108, ss.186-196, 2013 (SCI-Expanded)

29. FT-IR, FT-Raman and UV spectral investigation; Computed frequency estimation analysis and electronic structure calculations on 4-hydroxypteridine

Govindarajan M., Karabacak M.

Journal of Molecular Structure , cilt.1038, ss.114-125, 2013 (SCI-Expanded)

30. 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

KÖSE E., BARDAK F., ATAÇ A., Karabacak M., ÇİPİLOĞLU M. A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.114, ss.38-45, 2013 (SCI-Expanded)

31. The infrared, Raman, NMR and UV spectra, ab initio calculations and spectral assignments of 2-amino-4-chloro-6-methoxypyrimidine

Cinar Z., Karabacak M., Cinar M., Kurt M., Chinna Babu P., Sundaraganesan N.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.116, ss.451-459, 2013 (SCI-Expanded)

32. Experimental and theoretical FTiR and FT-Raman spectroscopic analysis of 1-pyrenecarboxylic acid

Karabacak M., Cinar M., Kurt M., Chinna Babu P., Sundaraganesan N.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.114, ss.509-519, 2013 (SCI-Expanded)

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