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Journal Abstract Search

581 related items for PubMed ID: 22402481

  • 1. 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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  • 4. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
    Sebastian S, Sundaraganesan N, Manoharan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 01; 74(2):312-23. PubMed ID: 19581124
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  • 6. FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.
    Govindarajan M, Karabacak M, Suvitha A, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr 01; 89():137-48. PubMed ID: 22261102
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  • 8. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
    Arivazhagan M, Anitha Rexalin D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 01; 96():668-76. PubMed ID: 22885079
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  • 9. 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 01; 83(1):553-60. PubMed ID: 21958519
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  • 10. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV) studies and first-order molecular hyperpolarizabilities of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine by density functional method.
    Subramanian N, Sundaraganesan N, Jayabharathi J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jul 01; 76(2):259-69. PubMed ID: 20413344
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  • 12. Vanillin and isovanillin: comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations.
    Balachandran V, Parimala K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep 01; 95():354-68. PubMed ID: 22542395
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  • 13. 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 01; 86():159-73. PubMed ID: 22137747
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  • 16. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
    Ramalingam S, Periandy S, Elanchezhian B, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 01; 78(1):429-36. PubMed ID: 21146451
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  • 17. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.
    Chandra S, Saleem H, Sebastian S, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 May 01; 78(5):1515-24. PubMed ID: 21377921
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  • 18. 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 01; 106():284-98. PubMed ID: 23416886
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  • 20. Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree-Fock and DFT calculations.
    Arivazhagan M, Manivel S, Jeyavijayan S, Meenakshi R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 05; 134():493-501. PubMed ID: 25048284
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