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421 related items for PubMed ID: 17613270

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.
    Arjunan V, Mohan S, Ravindran P, Mythili CV.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May 15; 72(4):783-8. PubMed ID: 19112045
    [Abstract] [Full Text] [Related]

  • 5. The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.
    Sundaraganesan N, Karpagam J, Sebastian S, Cornard JP.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 15; 73(1):11-9. PubMed ID: 19251476
    [Abstract] [Full Text] [Related]

  • 6. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
    Subramanian MK, Anbarasan PM, Manimegalai S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug 15; 73(4):642-9. PubMed ID: 19406685
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  • 9. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.
    Sundaraganesan N, Illakiamani S, Meganathan C, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 May 15; 67(1):214-24. PubMed ID: 16945578
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  • 11. 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 15; 77(5):1099-107. PubMed ID: 20933463
    [Abstract] [Full Text] [Related]

  • 12. Experimental, anticancer activity and density functional theory study on the vibrational spectra of 2-(4-fluorobenzylideneamino) propanoic acid.
    Ruan M, Ye Y, Song Y, Zhang Q, Zhao Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Feb 15; 72(1):26-31. PubMed ID: 19010721
    [Abstract] [Full Text] [Related]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. 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 15; 67(3-4):830-6. PubMed ID: 17018261
    [Abstract] [Full Text] [Related]

  • 16. 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 15; 70(1):50-9. PubMed ID: 17765601
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  • 17. Theoretical and vibrational studies of 4,5-diphenyl-2-2 oxazole propionic acid (oxaprozin).
    Sagdinc SG, Esme A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr 15; 75(4):1370-6. PubMed ID: 20167532
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  • 19. FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.
    Ramalingam S, Periandy S, Govindarajan M, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May 15; 75(5):1552-8. PubMed ID: 20227335
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