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571 related items for PubMed ID: 22366618

  • 1. 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.
    Karabacak M, Kose E, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():83-96. PubMed ID: 22366618
    [Abstract] [Full Text] [Related]

  • 2. NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of nicotinic acid N-oxide: A combined experimental and theoretical study.
    Atac A, Karabacak M, Karaca C, Kose E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):145-54. PubMed ID: 22001008
    [Abstract] [Full Text] [Related]

  • 3. 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.
    Asiri AM, Karabacak M, Kurt M, Alamry KA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
    [Abstract] [Full Text] [Related]

  • 4. FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures).
    Sas EB, Kose E, Kurt M, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():1315-33. PubMed ID: 25305625
    [Abstract] [Full Text] [Related]

  • 5. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
    Karabacak M, Kose E, Atac A, Ali Cipiloglu M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():892-908. PubMed ID: 22902933
    [Abstract] [Full Text] [Related]

  • 6. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
    Ramalingam S, Karabacak M, Periandy S, Puviarasan N, Tanuja D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 25; 96():207-20. PubMed ID: 22683556
    [Abstract] [Full Text] [Related]

  • 7. A structural and spectroscopic study on para-aminohippuric acid with experimental and theoretical approaches.
    Karabacak M, Cinar Z, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan 25; 85(1):241-50. PubMed ID: 22036005
    [Abstract] [Full Text] [Related]

  • 8. Molecular structure and vibrational spectroscopic studies of Chrysin using HF and Density Functional Theory.
    Sundaraganesan N, Mariappan G, Manoharan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 15; 87():67-76. PubMed ID: 22153594
    [Abstract] [Full Text] [Related]

  • 9. Comparison of experimental and density functional study on the molecular structure, infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid.
    Karabacak M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):876-83. PubMed ID: 18358772
    [Abstract] [Full Text] [Related]

  • 10. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.
    Shoba D, Periandy S, Karabacak M, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 01; 83(1):540-52. PubMed ID: 21943712
    [Abstract] [Full Text] [Related]

  • 11. Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid.
    Karaca C, Atac A, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():295-305. PubMed ID: 25448933
    [Abstract] [Full Text] [Related]

  • 12. Theoretical study on molecular structure and vibrational analysis included FT-IR, FT-Raman and UV techniques of 2,4,5-trimethylbenzoic acid (monomer and dimer structures).
    Karabacak M, Bilgili S, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 05; 134():598-607. PubMed ID: 25132184
    [Abstract] [Full Text] [Related]

  • 13. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
    Chaitanya K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 05; 86():159-73. PubMed ID: 22137747
    [Abstract] [Full Text] [Related]

  • 14. Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations.
    Mahadevan D, Periandy S, Karabacak M, Ramalingam S, Puviarasan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 05; 86():139-51. PubMed ID: 22074882
    [Abstract] [Full Text] [Related]

  • 15. Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations.
    Karabacak M, Cinar Z, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep 05; 79(5):1511-9. PubMed ID: 21646044
    [Abstract] [Full Text] [Related]

  • 16. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester.
    Nagabalasubramanian PB, Karabacak M, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov 05; 82(1):169-80. PubMed ID: 21820351
    [Abstract] [Full Text] [Related]

  • 17. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
    Ramalingam S, Periandy S, Karabacak M, Karthikeyan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 05; 104():337-51. PubMed ID: 23274261
    [Abstract] [Full Text] [Related]

  • 18. Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene.
    Udayakumar V, Periandy S, Karabacak M, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 05; 83(1):575-86. PubMed ID: 21955946
    [Abstract] [Full Text] [Related]

  • 19. 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.
    Cinar M, Coruh A, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 05; 83(1):561-9. PubMed ID: 21958518
    [Abstract] [Full Text] [Related]

  • 20. Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory.
    Atac A, Karabacak M, Kose E, Karaca C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 05; 83(1):250-8. PubMed ID: 21906993
    [Abstract] [Full Text] [Related]


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