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Journal Abstract Search

350 related items for PubMed ID: 16949223

  • 1.
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  • 2. Experimental (FT-IR, FT-Raman, NMR) and theoretical spectroscopic properties of intermolecular hydrogen bonded 1-acetyl-2-thiohydantoin polymorphs.
    Sharma A, Gupta V, Tandon P, Rawat P, Maeda S, Kunimoto KK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 May; 90():141-51. PubMed ID: 22336046
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  • 3. FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene.
    Nagabalasubramanian PB, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Dec; 77(5):1099-107. PubMed ID: 20933463
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  • 5. Comparison of experimental and density functional study on the molecular structure, infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid.
    Karabacak M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):876-83. PubMed ID: 18358772
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  • 8. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
    Arivazhagan M, Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun 01; 79(1):161-8. PubMed ID: 21450515
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  • 10. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK, Anbarasan PM, Ilangovan V, Babu SM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 01; 71(1):59-67. PubMed ID: 18178129
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  • 11. FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: a comparison to form 2.
    Srivastava A, Mishra R, Tandon P, Bansal AK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 01; 104():409-18. PubMed ID: 23277180
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  • 13. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid.
    Arslan H, Algül O, Onkol T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug 01; 70(3):606-14. PubMed ID: 17890142
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  • 14. FTIR and FT-Raman spectra, molecular geometry, vibrational assignments, first-order hyperpolarizability, ab initio and DFT calculations for 3,4-dimethoxybenzonitrile.
    Jeyavijayan S, Arivazhagan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct 15; 81(1):466-74. PubMed ID: 21752703
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  • 15. Structural and vibrational spectroscopic elucidation of sulpiride in solid state.
    Kecel-Gunduz S, Celik S, Ozel AE, Akyuz S.
    J Biomol Struct Dyn; 2015 Oct 15; 33(2):322-43. PubMed ID: 24428444
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  • 17. Structure and vibrations of glutathione studied by vibrational spectroscopy and density functional theory.
    Singh G, Dogra SD, Kaur S, Tripathi SK, Prakash S, Rai B, Saini GS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Oct 15; 149():505-15. PubMed ID: 25978018
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  • 19. Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations.
    Ramalingam S, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):835-43. PubMed ID: 21216183
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  • 20. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
    Karabacak M, Calisir Z, Kurt M, Kose E, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan 15; 153():754-70. PubMed ID: 26483317
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