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231 related items for PubMed ID: 21530379

  • 1. Vibrational spectra and non linear optical proprieties of L-histidine oxalate: DFT studies.
    Ben Ahmed A, Elleuch N, Feki H, Abid Y, Minot C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):554-61. PubMed ID: 21530379
    [Abstract] [Full Text] [Related]

  • 2. Crystal studies, vibrational spectra and non-linear optical properties of L-histidine chloride monohydrate.
    Ben Ahmed A, Feki H, Abid Y, Boughzala H, Minot C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jan; 75(1):293-8. PubMed ID: 19926520
    [Abstract] [Full Text] [Related]

  • 3. Structural, vibrational and ab initio studies of L-histidine oxalate.
    Dammak T, Fourati N, Abid Y, Boughzala H, Mlayah A, Minot C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):1097-101. PubMed ID: 16876465
    [Abstract] [Full Text] [Related]

  • 4. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
    Sebastian S, Sundaraganesan N, Manoharan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 01; 74(2):312-23. PubMed ID: 19581124
    [Abstract] [Full Text] [Related]

  • 5. 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 Oct 01; 121():129-38. PubMed ID: 24231749
    [Abstract] [Full Text] [Related]

  • 6. Experimental FTIR, FT-IR (gas phase), FT-Raman and NMR spectra, hyperpolarizability studies and DFT calculations of 3,5-dimethylpyrazole.
    Sundaraganesan N, Kavitha E, Sebastian S, Cornard JP, Martel M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):788-97. PubMed ID: 19729338
    [Abstract] [Full Text] [Related]

  • 7. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.
    Arivazhagan M, Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jul 15; 79(2):376-83. PubMed ID: 21466973
    [Abstract] [Full Text] [Related]

  • 8. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV) studies and first-order molecular hyperpolarizabilities of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine by density functional method.
    Subramanian N, Sundaraganesan N, Jayabharathi J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jul 15; 76(2):259-69. PubMed ID: 20413344
    [Abstract] [Full Text] [Related]

  • 9. Vibrational spectral investigation of four second order nonlinear optical azobenzene-containing materials: a combination of experimental and density functional theoretical (DFT) study.
    Li X, Li W, Li Z, Zhou X, Li Z, Qin J, Hu J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep 15; 79(5):1976-84. PubMed ID: 21684194
    [Abstract] [Full Text] [Related]

  • 10. Vibrational analysis of amino acids and short peptides in hydrated media. VII. Energy landscapes, energetic and geometrical features of L-histidine with protonated and neutral side chains.
    Pflüger F, Hernández B, Ghomi M.
    J Phys Chem B; 2010 Jul 15; 114(27):9072-83. PubMed ID: 20568807
    [Abstract] [Full Text] [Related]

  • 11. Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.
    Tanak H, Pawlus K, Marchewka MK, Pietraszko A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():82-93. PubMed ID: 24041532
    [Abstract] [Full Text] [Related]

  • 12. FT-IR, FT-Raman and quantum chemical calculations of (E)-N-carbamimidoyl-4-((3,4-dimethoxybenzylidene) amino) benzenesulfonamide.
    Chandran A, Varghese HT, Panicker CY, Manojkumar TK, Van Alsenoy C, Rajendran G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 15; 84(1):156-63. PubMed ID: 21983186
    [Abstract] [Full Text] [Related]

  • 13. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
    Subramanian MK, Anbarasan PM, Manimegalai S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug 15; 73(4):642-9. PubMed ID: 19406685
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Crystal structure, vibrational spectra and non-linear optical properties of diethylenetriammonium hexabromobismuthate: C4H16N3BiBr6.
    Dammak H, Feki H, Boughzala H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():1235-43. PubMed ID: 25305616
    [Abstract] [Full Text] [Related]

  • 16. The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods.
    Chandra S, Saleem H, Sundaraganesan N, Sebastian S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):704-13. PubMed ID: 19720562
    [Abstract] [Full Text] [Related]

  • 17. Comprehensive physicochemical studies of a new hybrid material: 2-amino-4-methyl-3-nitropyridinium hydrogen oxalate.
    Bryndal I, Kucharska E, Wandas M, Lorenc J, Hermanowicz K, Mączka M, Lis T, Marchewka M, Hanuza J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 03; 117():434-41. PubMed ID: 24013114
    [Abstract] [Full Text] [Related]

  • 18. 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]

  • 19. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
    Govindarajan M, Ganasan K, Periandy S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 24; 79(3):646-53. PubMed ID: 21530378
    [Abstract] [Full Text] [Related]

  • 20. FT-IR, UV-vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: a combined experimental and theoretical analysis.
    Cinar M, Coruh A, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 24; 83(1):561-9. PubMed ID: 21958518
    [Abstract] [Full Text] [Related]

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