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Journal Abstract Search

521 related items for PubMed ID: 22925978

  • 1. Rotational isomers, density functional theory, vibrational spectroscopic studies, thermodynamic functions, NBO and HOMO-LUMO analyses of 2,6-Bis(chloromethyl)pyridine.
    Balachandran V, Lalitha S, Rajeswari S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1023-32. PubMed ID: 22925978
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  • 3. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
    Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1101-10. PubMed ID: 22929905
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  • 4. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
    Chaitanya K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():159-73. PubMed ID: 22137747
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  • 7. Quantum mechanical study of the structure and vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO studies of 4-bromo-3-nitroanisole.
    Balachandran V, Karunakaran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 106():284-98. PubMed ID: 23416886
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  • 8. Experimental and theoretical spectroscopic studies, HOMO-LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine.
    Xavier RJ, Gobinath E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():215-22. PubMed ID: 22765940
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  • 9. Density functional theory, comparative vibrational spectroscopic studies, NBO, HOMO-LUMO analyses and thermodynamic functions of N-(bromomethyl)phthalimide and N-(chloromethyl)phthalimide.
    Balachandran V, Lalitha S, Rajeswari S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():146-57. PubMed ID: 22381785
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  • 12. Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic properties.
    Balachandran V, Santhi G, Karpagam V, Rastogi VK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():835-46. PubMed ID: 24152867
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