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Journal Abstract Search

139 related items for PubMed ID: 22055556

  • 1. 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; 86():115-9. PubMed ID: 22055556
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  • 5. 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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  • 11. DFT (LSDA, B3LYP and B3PW91) comparative vibrational spectroscopic analysis of alpha-acetonaphthone.
    Govindarajan M, Ganasan K, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jun; 76(1):12-21. PubMed ID: 20308014
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  • 12. 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; 67(5):1382-91. PubMed ID: 17142087
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  • 13. 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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  • 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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  • 15. Vibrational spectroscopic (FTIR and FTRaman) investigation using ab initio (HF) and DFT (LSDA and B3LYP) analysis on the structure of Toluic acid.
    Babu PD, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Apr 15; 78(4):1321-8. PubMed ID: 21273116
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  • 18. Vibrational spectroscopic studies and density functional theory calculations of speciation in the CO2-water system.
    Rudolph WW, Fischer D, Irmer G.
    Appl Spectrosc; 2006 Feb 15; 60(2):130-44. PubMed ID: 16542564
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