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Journal Abstract Search

657 related items for PubMed ID: 21185771

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  • 6. 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. FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene.
    Nagabalasubramanian PB, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Dec; 77(5):1099-107. PubMed ID: 20933463
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  • 11. FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene.
    Mahadevan D, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):962-9. PubMed ID: 21561799
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  • 12. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):871-9. PubMed ID: 17658292
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  • 13. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
    Sundaraganesan N, Priya M, Meganathan C, Joshua BD, Cornard JP.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):50-9. PubMed ID: 17765601
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  • 15. FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N'-dimethylamino pyridine.
    Sundaraganesan N, Kalaichelvan S, Meganathan C, Joshua BD, Cornard J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):898-906. PubMed ID: 18358770
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  • 16. Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of alpha-chlorotoluene.
    Nagabalasubramanian PB, Periandy S, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):150-9. PubMed ID: 20537941
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  • 17. FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene.
    Ramalingam S, Periandy S, Govindarajan M, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr 15; 75(4):1308-14. PubMed ID: 20133182
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  • 19. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
    Karabacak M, Karagöz D, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun 15; 72(5):1076-83. PubMed ID: 19213598
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  • 20. Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations.
    Wang J, Ren M, Wang S, Qu Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar 15; 78(3):1126-32. PubMed ID: 21227744
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