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Journal Abstract Search

247 related items for PubMed ID: 23811150

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  • 4. Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach.
    Dhas DA, Joe IH, Roy SD, Balachandran S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):993-1003. PubMed ID: 21565546
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  • 5. The spectroscopic (FTIR, FT-Raman and UV-Vis spectra), DFT and normal coordinate computations of m-nitromethylbenzoate.
    Gnanasambandan T, Gunasekaran S, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug; 112():52-61. PubMed ID: 23659951
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  • 6. 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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  • 7. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO-LUMO analysis of 2-quinoxaline carboxylic acid.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():325-35. PubMed ID: 22446782
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  • 8. Spectroscopic analysis and DFT calculations of a food additive carmoisine.
    Snehalatha M, Ravikumar C, Hubert Joe I, Sekar N, Jayakumar VS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Apr 15; 72(3):654-62. PubMed ID: 19124271
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  • 9. 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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  • 10. 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 15; 78(2):582-9. PubMed ID: 21190895
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  • 11. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO-LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 15; 114():449-74. PubMed ID: 23792240
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  • 12. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.
    Isac Paulraj E, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():38-49. PubMed ID: 23454843
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  • 13. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
    Arivazhagan M, Anitha Rexalin D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 15; 96():668-76. PubMed ID: 22885079
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  • 14. Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approach.
    Sylvestre S, Sebastian S, Edwin S, Amalanathan M, Ayyapan S, Jayavarthanan T, Oudayakumar K, Solomon S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():190-200. PubMed ID: 24945859
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  • 15. Experimental (FT-IR, FT-Raman and UV-Vis) spectra and theoretical DFT investigations of 2,3-diaminophenazine.
    Sylvestre S, Sebastian S, Oudayakumar K, Jayavarthanan T, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 10; 96():401-12. PubMed ID: 22722074
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  • 16. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 10; 114():101-13. PubMed ID: 23751224
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  • 17. DFT computations and spectroscopic analysis of a pesticide: chlorothalonil.
    Dhas DA, Joe IH, Roy SD, Freeda TH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):36-44. PubMed ID: 20537938
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  • 18. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
    Rajamani T, Muthu S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():186-96. PubMed ID: 23474478
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  • 19. Density functional theory, restricted Hartree-Fock simulations and FTIR, FT-Raman and UV-Vis spectroscopic studies on lamotrigine.
    Ramya T, Gunasekaran S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 15; 114():277-83. PubMed ID: 23774739
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