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702 related items for PubMed ID: 18586555

  • 1. Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin.
    Emami M, Teimouri A, Chermahini AN.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1516-24. PubMed ID: 18586555
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  • 5. Comparison of experimental and ab initio HF and DFT vibrational spectra of benzimidazole.
    Sundaraganesan N, Ilakiamani S, Subramani P, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul 15; 67(3-4):628-35. PubMed ID: 16979935
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  • 6. Density functional theory study on the structure and vibrational frequencies of glycylglycine.
    Zhao B, Wang C, Zhao S, Qin M, Zhou Z, Sun Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul 15; 70(2):301-6. PubMed ID: 17919969
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  • 11. The molecular structure and vibrational spectra of 2-chloro-N-(diethylcarbamothioyl)benzamide by Hartree-Fock and density functional methods.
    Arslan H, Flörke U, Külcü N, Binzet G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Dec 31; 68(5):1347-55. PubMed ID: 17418631
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  • 12. Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of alpha-chlorotoluene.
    Nagabalasubramanian PB, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):150-9. PubMed ID: 20537941
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  • 13. Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations.
    Atalay Y, Başoğlu A, Avci D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb 15; 69(2):460-6. PubMed ID: 17540615
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  • 16. 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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  • 18. 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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  • 19. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
    Durig JR, Ganguly A, El Defrawy AM, Gounev TK, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1379-89. PubMed ID: 18602334
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  • 20. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations.
    Ucun F, Sağlam A, Güçlü V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun 15; 67(2):342-9. PubMed ID: 16942910
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