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1448 related items for PubMed ID: 19251476

  • 21. Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 2-(4-fluorobenzylideneamino)-3-mercaptopropanoic acid.
    Ye Y, Ruan M, Song Y, Li YY, Xie W.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Sep; 68(1):85-93. PubMed ID: 17267274
    [Abstract] [Full Text] [Related]

  • 22. Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 2-(4-fluorobenzylideneamino)-3-(4-hydroxyphenyl) propanoic acid.
    Song YZ, Ruan M, Ye Y, Li YY, Xie W, Shen J, Shen AG.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):682-7. PubMed ID: 17613270
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  • 23. FT-Raman and FT-IR spectra, ab initio and density functional studies of 3,4-dichlorobenzyl alcohol.
    Sundaraganesan N, Anand B, Jian FF, Zhao P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):826-32. PubMed ID: 16574470
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  • 24. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.
    Mahadevan D, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):575-81. PubMed ID: 21185772
    [Abstract] [Full Text] [Related]

  • 25. 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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  • 30. 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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  • 32. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.
    Sundaraganesan N, Ilakiamani S, Saleem H, Wojciechowski PM, Michalska D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct 01; 61(13-14):2995-3001. PubMed ID: 16165042
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  • 33. Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree-Fock and density functional methods.
    Sundaraganesan N, Meganathan C, Anand B, Joshua BD, Lapouge C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul 01; 67(3-4):830-6. PubMed ID: 17018261
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  • 34. The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods.
    Chandra S, Saleem H, Sundaraganesan N, Sebastian S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):704-13. PubMed ID: 19720562
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  • 35. FT-IR, FT-Raman, ab initio and DFT structural and vibrational frequency analysis of 6-aminopenicillanic acid.
    Swaminathan J, Ramalingam M, Sethuraman V, Sundaraganesan N, Sebastian S, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jan 15; 75(1):183-90. PubMed ID: 19897407
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  • 36. 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 15; 74(5):1280-7. PubMed ID: 19875327
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  • 37. FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids.
    Sundaraganesan N, Meganathan C, Karthikeyan B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul 15; 70(2):430-8. PubMed ID: 18282793
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  • 38. 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 15; 86():159-73. PubMed ID: 22137747
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  • 39. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of 2,3-difluoro phenol.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):561-6. PubMed ID: 17324616
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  • 40. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method.
    Muthu S, Maheswari JU.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():154-63. PubMed ID: 22446762
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