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Journal Abstract Search


99 related items for PubMed ID: 23099169

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  • 3. Comparison of DFT methods for molecular structure and vibration spectra of ofloxacin calculations.
    Yang Y, Gao H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):303-9. PubMed ID: 22036003
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  • 6. Molecular structure and vibrational spectra of ibuprofen using density function theory calculations.
    Liu L, Gao H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():201-9. PubMed ID: 22261108
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  • 7. Molecular structure and vibrational spectra studies on antipyrine derivative, 4-(2,3,4-trihydroxybenzylideneamino) antipyrine.
    Liu L, Gao H, Cui Z.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug; 112():191-7. PubMed ID: 23666354
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  • 8. First principles study on the molecular structure and vibrational spectra of ketoprofen.
    Liu L, Gao H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():329-39. PubMed ID: 22789526
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  • 11. DFT calculation of molecular structures and vibrational spectra of antitumor drugs: cis-[Pt(CH3CN)2Cl2].
    Gao H, Wei X, Liu X, Huang C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct 01; 77(2):461-5. PubMed ID: 20621551
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  • 13. Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.
    Babu PD, Periandy S, Mohan S, Ramalingam S, Jayaprakash BG.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 01; 78(1):168-78. PubMed ID: 20943432
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  • 17. Density functional theory studies on the electronic and vibrational spectra of octaethylporphyrin diacid.
    Li ZY, Wang HL, Lu TT, He TJ, Liu FC, Chen DM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug 01; 67(5):1382-91. PubMed ID: 17142087
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