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257 related items for PubMed ID: 24704485

  • 1. Vibrational spectroscopic study, charge transfer interaction and nonlinear optical properties of L-asparaginium picrate: a density functional theoretical approach.
    Elleuch N, Amamou W, Ben Ahmed A, Abid Y, Feki H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():781-9. PubMed ID: 24704485
    [Abstract] [Full Text] [Related]

  • 2. Vibrational spectral studies and non-linear optical properties of L-leucine L-leucinium picrate: a Density Functional Theory approach.
    Guidara S, Feki H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():437-44. PubMed ID: 23867646
    [Abstract] [Full Text] [Related]

  • 3. Molecular structure, NLO, MEP, NBO analysis and spectroscopic characterization of 2,5-dimethylanilinium dihydrogen phosphate with experimental (FT-IR and FT-Raman) techniques and DFT calculations.
    Guidara S, Feki H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():856-66. PubMed ID: 25014546
    [Abstract] [Full Text] [Related]

  • 4. Vibrational spectra, optical properties, NBO and HOMO-LUMO analysis of L-Phenylalanine L-Phenylalaninium Perchlorate: DFT calculations.
    Elleuch N, Ben Ahmed A, Feki H, Abid Y, Minot C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 121():129-38. PubMed ID: 24231749
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. Twisted intramolecular charge transfer and its contribution to the NLO activity of Diglycine Picrate: a vibrational spectroscopic study.
    Alen S, Sajan D, Umadevi T, Němec I, Baburaj MS, Bena Jothy V, Selin Joy BH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():720-31. PubMed ID: 25137250
    [Abstract] [Full Text] [Related]

  • 7. Factor group analysis and hyperpolarizability studies of nonlinear optical L-asparaginium picrate (LASP) crystals.
    Srinivasan P, Kanagasekaran T, Gopalakrishnan R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 15; 71(2):592-6. PubMed ID: 18291713
    [Abstract] [Full Text] [Related]

  • 8. Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approach.
    Sylvestre S, Sebastian S, Edwin S, Amalanathan M, Ayyapan S, Jayavarthanan T, Oudayakumar K, Solomon S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():190-200. PubMed ID: 24945859
    [Abstract] [Full Text] [Related]

  • 9. 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 10; 115():275-86. PubMed ID: 23845985
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 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 Jul 15; 121():394-403. PubMed ID: 24280302
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. Structure and spectral properties of L-histidinium dipicrate dihydrate.
    Sethuram M, Dhandapani M, Sethu Raman M, Amirthaganesan G, Senthilkumar K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():102-11. PubMed ID: 24044988
    [Abstract] [Full Text] [Related]

  • 14. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory.
    Govindarasu K, Kavitha E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar 25; 122():130-41. PubMed ID: 24299985
    [Abstract] [Full Text] [Related]

  • 15. 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 25; 108():186-96. PubMed ID: 23474478
    [Abstract] [Full Text] [Related]

  • 16. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO analysis of S-S-2 methylamino-1-phenyl propan-1-ol.
    Ramachandran G, Muthu S, Renuga S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 15; 107():386-98. PubMed ID: 23485937
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. Synthesis, spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2(2-Hydroxyphenyl)-N-(4-Methylphenyl) Nitrone.
    Sheela NR, Sampathkrishnan S, Thirumalai Kumar M, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 109():272-81. PubMed ID: 23542518
    [Abstract] [Full Text] [Related]

  • 19. Molecular structure, vibrational spectra, NBO, UV and first order hyperpolarizability, analysis of 4-Chloro-dl-phenylalanine by density functional theory.
    Govindarasu K, Kavitha E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():799-810. PubMed ID: 25000567
    [Abstract] [Full Text] [Related]

  • 20. 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 10; 78(2):582-9. PubMed ID: 21190895
    [Abstract] [Full Text] [Related]

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