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Journal Abstract Search

1016 related items for PubMed ID: 21752703

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  • 4. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.
    Arivazhagan M, Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jul; 79(2):376-83. PubMed ID: 21466973
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  • 6. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
    Nagabalasubramanian PB, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1280-7. PubMed ID: 19875327
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  • 7. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
    Arivazhagan M, Jeyavijayan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun; 79(1):161-8. PubMed ID: 21450515
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  • 9. Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene.
    Arivazhagan M, Thilagavathi G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():411-8. PubMed ID: 22402481
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  • 12. Vibrational spectral analysis and first hyperpolarizability studies of 1-bromonaphthalene based on ab initio and DFT methods.
    Arivazhagan M, Rexalin DA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):553-60. PubMed ID: 21958519
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  • 20. FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations.
    Prabhu T, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):948-55. PubMed ID: 21550300
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