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Journal Abstract Search

127 related items for PubMed ID: 23410921

  • 21. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR, Saleem H, Subashchandrabose S, Sundaraganesan N, Sebastain S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
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  • 22. 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.
    Karabacak M, Postalcilar E, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):261-70. PubMed ID: 22032973
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  • 23. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
    Govindarajan M, Ganasan K, Periandy S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):646-53. PubMed ID: 21530378
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  • 24. Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 3,4-diamino benzophenone.
    Krishnakumar V, Muthunatesan S, Keresztury G, Sundius T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):1081-8. PubMed ID: 15946895
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  • 25. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.
    Sundaraganesan N, Ilakiamani S, Saleem H, Wojciechowski PM, Michalska D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct; 61(13-14):2995-3001. PubMed ID: 16165042
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  • 26. 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; 83(1):250-8. PubMed ID: 21906993
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  • 28. 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; 97():892-908. PubMed ID: 22902933
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  • 30. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.
    Arivazhagan M, Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jul; 79(2):376-83. PubMed ID: 21466973
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  • 33. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
    Nagabalasubramanian PB, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1280-7. PubMed ID: 19875327
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  • 35. 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
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  • 36. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S, Sundaraganesan N, Karthikeiyan B, Srinivasan V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):590-600. PubMed ID: 21195659
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