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Journal Abstract Search

531 related items for PubMed ID: 16815087

  • 41. 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; 78(2):826-34. PubMed ID: 21216662
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  • 42. FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-bromo-4-methyl-phenylamine.
    Sundaraganesan N, Saleem H, Mohan S, Ramalingam M, Sethuraman V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):740-51. PubMed ID: 16257782
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  • 43. Vibrational spectroscopy investigation using ab initio and DFT vibrational analysis of 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine-4-oxide.
    Prasath M, Muthu S, Arun Balaji R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():224-35. PubMed ID: 23732619
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  • 47. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-chloro-10-oxa-3-thia-tricyclo[5.2.1.0(1,5)]dec-8-ene-3,3-dioxide.
    Arslan H, Demircan A, Göktürk E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan; 69(1):105-12. PubMed ID: 17475544
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  • 48. An ab initio and DFT study of structure and vibrational spectra of gamma form of oleic acid: comparison to experimental data.
    Mishra S, Chaturvedi D, Kumar N, Tandon P, Siesler HW.
    Chem Phys Lipids; 2010 Feb; 163(2):207-17. PubMed ID: 19941842
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  • 49. Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method.
    Sundaraganesan N, Anand B, Meganathan C, Joshua BD, Saleem H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan; 69(1):198-204. PubMed ID: 17512242
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  • 50. 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; 83(1):553-60. PubMed ID: 21958519
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  • 51. Structural, vibrational and DFT studies on 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione.
    Arjunan V, Saravanan I, Ravindran P, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct 15; 74(3):642-9. PubMed ID: 19660980
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  • 53. Ab initio HF, DFT and experimental (FT-IR) investigation of vibrational spectroscopy of P-N,N-dimethylaminobenzylidenemalononitrile (DBM).
    el-Nahass MM, Kamel MA, el-Deeb AF, Atta AA, Huthaily SY.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 15; 79(3):443-50. PubMed ID: 21514212
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  • 54. 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
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  • 57. 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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  • 60. Molecular geometry, vibrational spectra, atomic charges, frontier molecular orbital and Fukui function analysis of antiviral drug zidovudine.
    Ramkumaar GR, Srinivasan S, Bhoopathy TJ, Gunasekaran S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 15; 99():189-95. PubMed ID: 23064549
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