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Journal Abstract Search

672 related items for PubMed ID: 24252291

  • 1.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 2. Conformational analysis, X-ray crystallographic, FT-IR, FT-Raman, DFT, MEP and molecular docking studies on 1-(1-(3-methoxyphenyl) ethylidene) thiosemicarbazide.
    Saravanan RR, Seshadri S, Gunasekaran S, Mendoza-Meroño R, Garcia-Granda S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():321-8. PubMed ID: 25574651
    [Abstract] [Full Text] [Related]

  • 3. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
    Muthu S, Elamurugu Porchelvi E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():275-86. PubMed ID: 23845985
    [Abstract] [Full Text] [Related]

  • 4. Synthesis, structural, spectroscopic studies, NBO analysis, NLO and HOMO-LUMO of 4-methyl-N-(3-nitrophenyl)benzene sulfonamide with experimental and theoretical approaches.
    Sarojini K, Krishnan H, Kanakam CC, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():159-70. PubMed ID: 23466326
    [Abstract] [Full Text] [Related]

  • 5. Experimental, quantum chemical and NBO/NLMO investigations of pantoprazole.
    Rajesh P, Gunasekaran S, Gnanasambandan T, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():247-55. PubMed ID: 25315871
    [Abstract] [Full Text] [Related]

  • 6. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R, Monisha NR, Yasaswini S, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():521-32. PubMed ID: 25579654
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Spectroscopic investigations, quantum chemical calculations, HOMO-LUMO and NBO/NLMO analysis of 4-pyridinecarbohydrazide.
    Gobinath E, John Xavier R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():815-22. PubMed ID: 23892123
    [Abstract] [Full Text] [Related]

  • 9. Experimental and theoretical spectroscopic studies, HOMO-LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine.
    Xavier RJ, Gobinath E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 15; 97():215-22. PubMed ID: 22765940
    [Abstract] [Full Text] [Related]

  • 10. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.
    Isac Paulraj E, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():38-49. PubMed ID: 23454843
    [Abstract] [Full Text] [Related]

  • 11. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
    Muthu S, Ramachandran G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 15; 121():394-403. PubMed ID: 24280302
    [Abstract] [Full Text] [Related]

  • 12.
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    [No Abstract] [Full Text] [Related]

  • 13. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane.
    Suvitha A, Periandy S, Govindarajan M, Gayathri P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():900-12. PubMed ID: 25459692
    [Abstract] [Full Text] [Related]

  • 14. Molecular structure and vibrational analysis of Trifluoperazine by FT-IR, FT-Raman and UV-Vis spectroscopies combined with DFT calculations.
    Rajesh P, Gunasekaran S, Gnanasambandan T, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():1184-93. PubMed ID: 25305610
    [Abstract] [Full Text] [Related]

  • 15. FT-IR, FT-Raman and UV-Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin.
    Udaya Sri N, Chaitanya K, Prasad MV, Veeraiah V, Veeraiah A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():728-36. PubMed ID: 22892370
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile.
    Demircioğlu Z, Kaştaş ÇA, Büyükgüngör O.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():539-48. PubMed ID: 25579656
    [Abstract] [Full Text] [Related]

  • 18. Experimental and theoretical study of ornidazole.
    Rajesh P, Gunasekaran S, Gnanasambandan T, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan 15; 153():496-504. PubMed ID: 26408856
    [Abstract] [Full Text] [Related]

  • 19. 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
    [Abstract] [Full Text] [Related]

  • 20. 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.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 24; 108():186-96. PubMed ID: 23474478
    [Abstract] [Full Text] [Related]

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