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Journal Abstract Search

916 related items for PubMed ID: 22617215

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  • 23. Molecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculations.
    Deval V, Kumar A, Gupta V, Sharma A, Gupta A, Tandon P, Kunimoto KK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():15-26. PubMed ID: 24845873
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  • 26. Determination of conformational and spectroscopic features of ethyl trans-alfa-cyano-3-indole-acrylate compound: an experimental and quantum chemical study.
    Cinar M, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 11; 104():428-36. PubMed ID: 23274474
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  • 27. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N, Senthil Nayaki N, Venkatram Reddy B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():1134-48. PubMed ID: 25459510
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  • 30. 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
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  • 35. NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of nicotinic acid N-oxide: A combined experimental and theoretical study.
    Atac A, Karabacak M, Karaca C, Kose E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan 24; 85(1):145-54. PubMed ID: 22001008
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  • 36. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester.
    Nagabalasubramanian PB, Karabacak M, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov 24; 82(1):169-80. PubMed ID: 21820351
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  • 38. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():604-20. PubMed ID: 24813291
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  • 40. 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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