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Journal Abstract Search

134 related items for PubMed ID: 25710113

  • 21. Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO-LUMO of midodrine by using density functional methods.
    Shahidha R, Al-Saadi AA, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 05; 134():127-42. PubMed ID: 25011041
    [Abstract] [Full Text] [Related]

  • 22. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
    Kumar A, Deval V, Tandon P, Gupta A, Deepak D'silva E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():41-53. PubMed ID: 24762572
    [Abstract] [Full Text] [Related]

  • 23. 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
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  • 24. Vibrational analysis, electronic structure and nonlinear optical properties of levofloxacin by density functional theory.
    Gunasekaran S, Rajalakshmi K, Kumaresan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug 15; 112():351-63. PubMed ID: 23685802
    [Abstract] [Full Text] [Related]

  • 25. Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method.
    Porchelvi EE, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 05; 134():453-64. PubMed ID: 25033238
    [Abstract] [Full Text] [Related]

  • 26. 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]

  • 27. 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 05; 108():186-96. PubMed ID: 23474478
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  • 28. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 05; 114():101-13. PubMed ID: 23751224
    [Abstract] [Full Text] [Related]

  • 29. Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acids.
    Muthu S, Elamurugu Porchelvi E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec 05; 116():220-35. PubMed ID: 23948564
    [Abstract] [Full Text] [Related]

  • 30. The spectroscopic (FT-IR, FT-Raman and NMR), NCA, Fukui function analysis first order hyperpolarizability, TGA of 6-chloro-3,4dihydro-2H-1,2,4-benzothiazine-7-sulphonamide1,1-dioxide by ab initio HF and Density Functional method.
    Elamurugu Porchelvi E, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 05; 123():230-40. PubMed ID: 24398466
    [Abstract] [Full Text] [Related]

  • 31. Molecular structure, vibrational spectra and nonlinear optical properties of 2,5-dimethylanilinium chloride monohydrate: a density functional theory approach.
    Guidara S, Ahmed AB, Abid Y, Feki H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jun 05; 127():275-85. PubMed ID: 24632236
    [Abstract] [Full Text] [Related]

  • 32. Vibrational and UV spectra, first order hyperpolarizability, NBO and HOMO-LUMO analysis of 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl-benzamide.
    Muthu S, Rajamani T, Karabacak M, Asiri AM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar 25; 122():1-14. PubMed ID: 24291448
    [Abstract] [Full Text] [Related]

  • 33. Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide.
    Muthu S, Ramachandran G, Isac Paulraj E, Swaminathan T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():603-13. PubMed ID: 24691375
    [Abstract] [Full Text] [Related]

  • 34. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.
    Chandra S, Saleem H, Sebastian S, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 May 15; 78(5):1515-24. PubMed ID: 21377921
    [Abstract] [Full Text] [Related]

  • 35. Experimental and theoretical spectroscopic analysis, HOMO-LUMO, and NBO studies of cyanuric chloride.
    Prabhaharan M, Prabakaran AR, Srinivasan S, Gunasekaran S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jun 05; 127():454-62. PubMed ID: 24650880
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  • 36. Spectroscopic (FTIR, FT-Raman), molecular electrostatic potential, NBO and HOMO-LUMO analysis of P-bromobenzene sulfonyl chloride based on DFT calculations.
    Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():890-9. PubMed ID: 25459613
    [Abstract] [Full Text] [Related]

  • 37. 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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  • 38. DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid.
    Renuga Devi TS, Sharmi kumar J, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():761-77. PubMed ID: 25262144
    [Abstract] [Full Text] [Related]

  • 39. Experimental and theoretical investigation of the molecular structure, conformational stability, hyperpolarizability, electrostatic potential, thermodynamic properties and NMR spectra of pharmaceutical important molecule: 4'-methylpropiophenone.
    Karunakaran V, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():1-14. PubMed ID: 24657464
    [Abstract] [Full Text] [Related]

  • 40. The spectroscopic (FTIR, FT-Raman and UV-Vis spectra), DFT and normal coordinate computations of m-nitromethylbenzoate.
    Gnanasambandan T, Gunasekaran S, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug 15; 112():52-61. PubMed ID: 23659951
    [Abstract] [Full Text] [Related]

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