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Journal Abstract Search

129 related items for PubMed ID: 22789526

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  • 6. 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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  • 7. 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; 78(2):835-43. PubMed ID: 21216183
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  • 8. Density functional theory study on the molecular structure and vibration spectra of fenbufen.
    Yang Y, Gao H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jan 15; 101():119-26. PubMed ID: 23099169
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  • 9. Theoretical studies of molecular structures and properties of platinum (II) antitumor drugs.
    Gao H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 15; 79(3):687-93. PubMed ID: 21543252
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  • 13. A comparative DFT study of the structure and vibration spectra of the intermediate of the OCS heterogeneous reaction.
    Gao H, Yang Y, Liu L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 15; 86():115-9. PubMed ID: 22055556
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  • 14. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
    Shakila G, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 15; 78(2):732-9. PubMed ID: 21183400
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  • 20. Vibrational investigation, molecular orbital studies and molecular electrostatic potential map analysis on 3-chlorobenzoic acid using hybrid computational calculations.
    Ramalingam S, Babu PD, Periandy S, Fereyduni E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 15; 84(1):210-20. PubMed ID: 21993254
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