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Journal Abstract Search

174 related items for PubMed ID: 24632236

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  • 2. 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
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  • 4. 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
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  • 6. 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
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  • 7. 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 Nov 15; 121():394-403. PubMed ID: 24280302
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  • 8. 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 Nov 15; 121():129-38. PubMed ID: 24231749
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  • 10. 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
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  • 13. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
    Rajalakshmi K, Gunasekaran S, Kumaresan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():466-79. PubMed ID: 24813275
    [Abstract] [Full Text] [Related]

  • 14. Structure and nonlinear optical property analysis of L-Methioninium oxalate: a DFT approach.
    Sheela GE, Manimaran D, Hubert Joe I, Rahim S, Jothy VB.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 May 15; 143():40-8. PubMed ID: 25710113
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  • 16. 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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  • 17. 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 05; 108():159-70. PubMed ID: 23466326
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  • 18. Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5-(trifluoromethyl) aniline.
    Karthick T, Balachandran V, Perumal S, Nataraj A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 15; 107():72-81. PubMed ID: 23416911
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  • 19. 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]

  • 20. 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]

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