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Journal Abstract Search

166 related items for PubMed ID: 22074889

  • 1. Analysis of vibrational spectra and nonlinear optical properties of organic molecule L-alaninium formate.
    John CJ, Xavier TS, Amalanathan M, Joe IH, Rastogi VK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():174-80. PubMed ID: 22074889
    [Abstract] [Full Text] [Related]

  • 2. Intramolecular charge delocalization and nonlinear optical properties of push-pull chromophore 1-(4-N,N-dimethylaminopyridinium) acetic acid bromide monohydrate from vibrational spectra.
    John CJ, Amalanathan M, Sajan D, Lakshmi KU, Joe IH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):264-72. PubMed ID: 21036101
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. Vibrational spectra, UV and NMR, first order hyperpolarizability and HOMO-LUMO analysis of 2-amino-4-chloro-6-methylpyrimidine.
    Jayavarthanan T, Sundaraganesan N, Karabacak M, Cinar M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():811-24. PubMed ID: 22902579
    [Abstract] [Full Text] [Related]

  • 5. Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: a density functional theory.
    Sajan D, Joseph L, Vijayan N, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct 15; 81(1):85-98. PubMed ID: 21775197
    [Abstract] [Full Text] [Related]

  • 6. The 'partial resonance' of the ring in the NLO crystal melaminium formate: study using vibrational spectra, DFT, HOMO-LUMO and MESP mapping.
    Binoy J, Marchewka MK, Jayakumar VS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 15; 104():97-109. PubMed ID: 23266682
    [Abstract] [Full Text] [Related]

  • 7. Vibrational spectral investigation and natural bond orbital analysis of pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate - DFT approach.
    Suresh DM, Amalanathan M, Sebastian S, Sajan D, Hubert Joe I, Bena Jothy V, Nemec I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():595-602. PubMed ID: 23872018
    [Abstract] [Full Text] [Related]

  • 8. Vibrational spectra, electronic absorption, nonlinear optical properties, evaluation of bonding, chemical reactivity and thermodynamic properties of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate molecule by ab initio HF and density functional methods.
    Singh RN, Rawat P, Sahu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():1162-8. PubMed ID: 25168004
    [Abstract] [Full Text] [Related]

  • 9. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate.
    Edwin B, Amalanathan M, Hubert Joe I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 25; 96():10-7. PubMed ID: 22647437
    [Abstract] [Full Text] [Related]

  • 10. Synthesis, analysis of spectroscopic and nonlinear optical properties of the novel compound: (S)-N-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine.
    Karabacak M, Karaca C, Atac A, Eskici M, Karanfil A, Kose E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():556-67. PubMed ID: 22842350
    [Abstract] [Full Text] [Related]

  • 11. Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole.
    Sudha S, Karabacak M, Kurt M, Cinar M, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 15; 84(1):184-95. PubMed ID: 21981941
    [Abstract] [Full Text] [Related]

  • 12. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
    Chaitanya K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 15; 86():159-73. PubMed ID: 22137747
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Molecular structure and vibrational spectral investigation of charge transfer NLO crystal naphthalene picrate for THz application.
    Amalanathan M, Hubert Joe I, Rastogi VK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():256-67. PubMed ID: 23501937
    [Abstract] [Full Text] [Related]

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  • 17. Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L-Valinium formate.
    Joselin Beaula T, Manimaran D, Hubert Joe I, Rastogi VK, Bena Jothy V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 21; 126():170-7. PubMed ID: 24603115
    [Abstract] [Full Text] [Related]

  • 18. 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 21; 115():437-44. PubMed ID: 23867646
    [Abstract] [Full Text] [Related]

  • 19. Molecular structure, vibrational spectra, NLO and NBO analysis of bis(8-oxy-1-methylquinolinium) hydroiodide.
    Pir H, Günay N, Avcı D, Atalay Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 21; 96():916-24. PubMed ID: 22954808
    [Abstract] [Full Text] [Related]

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