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Journal Abstract Search

202 related items for PubMed ID: 26342821

  • 21. 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]

  • 22. 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 25; 115():275-86. PubMed ID: 23845985
    [Abstract] [Full Text] [Related]

  • 23. Spectroscopic studies, potential energy surface and molecular orbital calculations of pramipexole.
    Muthu S, Uma Maheswari J, Srinivasan S, Isac paulraj E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 25; 115():64-73. PubMed ID: 23831980
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  • 24. 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 25; 121():394-403. PubMed ID: 24280302
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  • 25. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
    Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():1101-10. PubMed ID: 22929905
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  • 26. Quantum mechanical study of the structure and vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO studies of 4-bromo-3-nitroanisole.
    Balachandran V, Karunakaran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 25; 106():284-98. PubMed ID: 23416886
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  • 27. Vibrational spectroscopic studies of Isoleucine by quantum chemical calculations.
    Moorthi PP, Gunasekaran S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():365-74. PubMed ID: 24508874
    [Abstract] [Full Text] [Related]

  • 28. 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 24; 115():654-66. PubMed ID: 23880407
    [Abstract] [Full Text] [Related]

  • 29. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method.
    Shahidha R, Muthu S, Elamurugu Porchelvi E, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():142-51. PubMed ID: 24858355
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  • 30. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil.
    Singh JS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():313-28. PubMed ID: 24793482
    [Abstract] [Full Text] [Related]

  • 31. FT-IR and FT-Raman spectra, thermo dynamical behavior, HOMO and LUMO, UV, NLO properties, computed frequency estimation analysis and electronic structure calculations on α-bromotoluene.
    Govindarajan M, Periandy S, Carthigayen K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 15; 97():411-22. PubMed ID: 22820044
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  • 32. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol.
    Moorthi PP, Gunasekaran S, Swaminathan S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():412-22. PubMed ID: 25233034
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  • 33. Molecular structure, vibrational spectral analysis, NBO, HOMO-LUMO and conformational studies of ninhydrin.
    Arivazhagan M, Anitha Rexalin D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 25; 104():451-60. PubMed ID: 23274476
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  • 34. 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 25; 78(5):1515-24. PubMed ID: 21377921
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  • 35. 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 25; 86():159-73. PubMed ID: 22137747
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  • 36. Quantum mechanical interpretation of intermolecular vibrational modes of crystalline poly-(R)-3-hydroxybutyrate observed in low-frequency Raman and terahertz spectra.
    Yamamoto S, Morisawa Y, Sato H, Hoshina H, Ozaki Y.
    J Phys Chem B; 2013 Feb 21; 117(7):2180-7. PubMed ID: 23339602
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  • 37. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
    Karabacak M, Kose E, Atac A, Ali Cipiloglu M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 21; 97():892-908. PubMed ID: 22902933
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  • 38. Experimental and theoretical investigations of benzamide oxime.
    Arjunan V, Mythili CV, Mageswari K, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun 21; 79(1):245-53. PubMed ID: 21450516
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  • 39. Synthesis, structural characterization and theoretical approach of 3-(2,6-dichlorobenzyl)-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.
    Ni H, Zhang Y, Zhang F, Zhao J, Wu L, Chu X.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():648-59. PubMed ID: 25541404
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  • 40. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.
    Balachandran V, Murugan M, Nataraj A, Karnan M, Ilango G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():538-49. PubMed ID: 24892532
    [Abstract] [Full Text] [Related]

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