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Journal Abstract Search


354 related items for PubMed ID: 23880407

  • 1. Vibrational spectra, first order hyperpolarizability, NBO, Fukui function and HOMO-LUMO analysis of 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl] pyrimidine.
    Rajamani T, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():654-66. PubMed ID: 23880407
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  • 2. 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; 115():275-86. PubMed ID: 23845985
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  • 10. Spectroscopic analysis of 3-Bromodiphenylamine with experimental techniques and quantum chemical calculations.
    Sudharsan A, Seshadri S, Gnanasambandan T, Saravanan RR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct 15; 131():432-45. PubMed ID: 24835947
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  • 11. Molecular structure, vibrational spectroscopic, hyperpolarizability, natural bond orbital analysis, frontier molecular orbital analysis and thermodynamic properties of 2,3,4,5,6-pentafluorophenylacetic acid.
    Balachandran V, Karunakaran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jun 05; 127():473-83. PubMed ID: 24662720
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  • 12. 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
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  • 13. 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
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  • 16. Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Paulraj EI, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 05; 106():310-20. PubMed ID: 23462668
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  • 17. Quantum mechanical study of the structure and spectroscopic, first order hyperpolarizability, Fukui function, NBO, normal coordinate analysis of phenyl-N-(4-methyl phenyl) nitrone.
    Sheela NR, Sampathkrishnan S, Thirumalai Kumar M, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug 05; 112():62-77. PubMed ID: 23659952
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  • 19. Conformational stability, molecular orbital studies (chemical hardness and potential), vibrational investigation and theoretical NBO analysis of 4-tert-butyl-3-methoxy-2,6-dinitrotoluene.
    Saravanan S, Balachandran V, Vishwanathan K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():451-69. PubMed ID: 24508884
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  • 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
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