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Journal Abstract Search


598 related items for PubMed ID: 24060478

  • 1. 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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  • 2. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.
    Balachandran V, Murugan M, Nataraj A, Karnan M, Ilango G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():538-49. PubMed ID: 24892532
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  • 13. Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid.
    Suresh S, Gunasekaran S, Srinivasan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():130-41. PubMed ID: 24858354
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  • 14. Conformational stability, molecular orbital studies (chemical hardness and potential), vibrational investigation and theoretical NBO analysis of 4-tert-butyl-3-methoxy-2,6-dinitrotoluene.
    Saravanan S, Balachandran V, Vishwanathan K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():451-69. PubMed ID: 24508884
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  • 16. 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 24; 96():207-20. PubMed ID: 22683556
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  • 17. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N, Senthil Nayaki N, Venkatram Reddy B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():1134-48. PubMed ID: 25459510
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  • 19. Synthesis, structural and spectral analysis of (E)-N'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate by density functional theory.
    Govindarasu K, Kavitha E, Sundaraganesan N, Suresh M, Syed Ali Padusha M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():1123-36. PubMed ID: 25189524
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