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Journal Abstract Search


1547 related items for PubMed ID: 21190895

  • 21. 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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  • 22. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method.
    Muthu S, Prabhakaran A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug 14; 129():184-92. PubMed ID: 24747330
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  • 23. Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate.
    Ayyappan S, Sundaraganesan N, Aroulmoji V, Murano E, Sebastian S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):264-75. PubMed ID: 20621610
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  • 24. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():604-20. PubMed ID: 24813291
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  • 25. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method.
    Muthu S, Maheswari JU.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():154-63. PubMed ID: 22446762
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  • 35. FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene.
    Babu PC, Sundaraganesan N, Dereli Ö, Türkkan E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 15; 79(3):562-9. PubMed ID: 21501967
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  • 37. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV) studies and first-order molecular hyperpolarizabilities of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine by density functional method.
    Subramanian N, Sundaraganesan N, Jayabharathi J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jul 15; 76(2):259-69. PubMed ID: 20413344
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  • 39. Theoretical investigations on molecular structure, vibrational spectra, HOMO, LUMO, NBO analysis and hyperpolarizability calculations of thiophene-2-carbohydrazide.
    Balachandran V, Janaki A, Nataraj A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():321-30. PubMed ID: 24060478
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