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Journal Abstract Search

489 related items for PubMed ID: 20832355

  • 1. Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method.
    Subashchandrabose S, Krishnan AR, Saleem H, Parameswari R, Sundaraganesan N, Thanikachalam V, Manikandan G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Nov; 77(4):877-84. PubMed ID: 20832355
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  • 2. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR, Saleem H, Subashchandrabose S, Sundaraganesan N, Sebastain S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
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  • 3. The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method.
    Sebastian S, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Mar; 75(3):941-52. PubMed ID: 20056479
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  • 4. 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; 78(5):1515-24. PubMed ID: 21377921
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  • 5. FT-IR, FT-Raman, ab initio and DFT studies, HOMO-LUMO and NBO analysis of 3-amino-5-mercapto-1,2,4-triazole.
    Xavier RJ, Gobinath E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():242-51. PubMed ID: 22070998
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  • 7. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S, Sundaraganesan N, Karthikeiyan B, Srinivasan V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
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  • 11. 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
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  • 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
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  • 13. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
    Arunagiri C, Arivazhagan M, Subashini A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep 15; 79(5):1747-56. PubMed ID: 21680229
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  • 14. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method.
    Muthu S, Prabhakaran A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug 14; 129():184-92. PubMed ID: 24747330
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  • 15. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO analysis of S-S-2 methylamino-1-phenyl propan-1-ol.
    Ramachandran G, Muthu S, Renuga S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 15; 107():386-98. PubMed ID: 23485937
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  • 18. 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
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  • 19. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.
    Sundaraganesan N, Ilakiamani S, Saleem H, Wojciechowski PM, Michalska D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct 15; 61(13-14):2995-3001. PubMed ID: 16165042
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