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259 related items for PubMed ID: 17088098

  • 1. Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride.
    Varghese HT, Panicker CY, Philip D, Pazdera P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):1055-9. PubMed ID: 17088098
    [Abstract] [Full Text] [Related]

  • 2. Vibrational spectroscopic studies and ab initio calculations of 5-methyl-2-(p-fluorophenyl)benzoxazole.
    Anto PL, Panicker CY, Varghese HT, Philip D, Temiz-Arpaci O, Tekiner-Gulbas B, Yildiz I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):744-9. PubMed ID: 17023195
    [Abstract] [Full Text] [Related]

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

  • 4. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK, Anbarasan PM, Ilangovan V, Babu SM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 01; 71(1):59-67. PubMed ID: 18178129
    [Abstract] [Full Text] [Related]

  • 5. Vibrational spectroscopic studies and ab initio calculations of 5-methyl-2-(p-methylaminophenyl)benzoxazole.
    Ambujakshan KR, Madhavan VS, Varghese HT, Panicker CY, Temiz-Arpaci O, Tekiner-Gulbas B, Yildiz I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar 01; 69(3):782-8. PubMed ID: 17604214
    [Abstract] [Full Text] [Related]

  • 6. Vibrational spectroscopic studies and ab initio calculations of sulfanilamide.
    Varghese HT, Panicker CY, Philip D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Sep 01; 65(1):155-8. PubMed ID: 16458050
    [Abstract] [Full Text] [Related]

  • 7. 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 01; 75(5):1552-8. PubMed ID: 20227335
    [Abstract] [Full Text] [Related]

  • 8. Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method.
    Sundaraganesan N, Meganathan C, Joshua BD, Mani P, Jayaprakash A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 01; 71(3):1134-9. PubMed ID: 18448383
    [Abstract] [Full Text] [Related]

  • 9. 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 01; 78(2):835-43. PubMed ID: 21216183
    [Abstract] [Full Text] [Related]

  • 10. FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.
    Ramalingam S, Anbusrinivasan P, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 01; 78(2):826-34. PubMed ID: 21216662
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline.
    Rani AU, Sundaraganesan N, Kurt M, Cinar M, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May 15; 75(5):1523-9. PubMed ID: 20299282
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. 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]

  • 15. FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid.
    Sundaraganesan N, Meganathan C, Anand B, Lapouge C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Mar 15; 66(3):773-80. PubMed ID: 16870498
    [Abstract] [Full Text] [Related]

  • 16. 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 15; 69(3):871-9. PubMed ID: 17658292
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. 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
    [Abstract] [Full Text] [Related]

  • 20. Quantum chemical and spectroscopic investigations of 5-aminoquinoline.
    Arjunan V, Mohan S, Balamourougane PS, Ravindran P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec 15; 74(5):1215-23. PubMed ID: 19854675
    [Abstract] [Full Text] [Related]

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