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271 related items for PubMed ID: 23314391

  • 1. Fourier Transform Infrared and Raman spectra, DFT: B3LYP/6-311G(d, p) calculations and structural properties of bis(diethyldithiocarbamate)copper(II).
    Costa AC, Ramos JM, Téllez Soto CA, Martin AA, Raniero L, Ondar GF, Versiane O, Moraes LS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 15; 105():259-66. PubMed ID: 23314391
    [Abstract] [Full Text] [Related]

  • 2. DFT: B3LYP/6-311G (d, p) vibrational analysis of bis-(diethyldithiocarbamate)zinc(II) and natural bond orbitals.
    Costa AC, Ondar GF, Versiane O, Ramos JM, Santos TG, Martin AA, Raniero L, Bussi GG, Téllez Soto CA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 15; 105():251-8. PubMed ID: 23314390
    [Abstract] [Full Text] [Related]

  • 3. Surface enhanced Raman scattering, natural bond orbitals and Mulliken atomic charge distribution in the normal modes of diethyldithiocarbamate cadmium (II) complex, [Cd(DDTC)₂].
    Soto CA, Costa AC, Versiane O, Lemma T, Machado NC, Mondragón MA, Martin AA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jul 05; 146():192-203. PubMed ID: 25813176
    [Abstract] [Full Text] [Related]

  • 4. Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.
    Raissi H, Nowroozi A, Farzad F, Bojd MS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov 05; 62(1-3):343-52. PubMed ID: 16257735
    [Abstract] [Full Text] [Related]

  • 5. Investigation of coordination properties of isolated adenine to copper metal: a systematic spectroscopic and DFT study.
    Prakash O, Singh SK, Singh B, Singh RK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug 05; 112():410-6. PubMed ID: 23694899
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  • 8. A new tridentate Schiff base Cu(II) complex: synthesis, experimental and theoretical studies on its crystal structure, FT-IR and UV-Visible spectra.
    Saheb V, Sheikhshoaie I, Setoodeh N, Rudbari HA, Bruno G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jun 05; 110():124-9. PubMed ID: 23562742
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  • 9. 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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  • 10. Fourier transform infrared spectrum, vibrational analysis and structural determinations of the trans-bis(glycine)nickel(II) complex by means of the RHF/6-311G and DFT:B3LYP/6-31G and 6-311G methods.
    Ramos JM, Versiane O, Felcman J, Téllez Soto CA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Dec 31; 68(5):1370-8. PubMed ID: 17466576
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  • 11. Vibrational and electronic spectra of [Cu(L-ornithinato)2Cl2]·2H2O.
    Parajón-Costa BS, Baran EJ.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 31; 98():252-5. PubMed ID: 22964244
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  • 12. FT-IR and FT-Raman spectroscopic investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 2-nitroanisole using HF and DFT (B3LYP and B3PW91) calculations.
    Prabhu T, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec 31; 83(1):8-16. PubMed ID: 21963192
    [Abstract] [Full Text] [Related]

  • 13. Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex.
    Téllez Soto CA, Costa AC, Ramos JM, Versiane O, Ondar GF, Ferreira GB, Fávero PP, Rangel JL, Raniero L, Bueno Costa G, Bussi GG, Martin AA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jun 31; 110():443-9. PubMed ID: 23588299
    [Abstract] [Full Text] [Related]

  • 14. DFT calculations and experimental FT-IR, dispersive-Raman and EPR spectral studies of Copper (II) chloride complex with 3-amino-1-methylbenzene.
    Kumru M, Bardakçı T, Güner S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 05; 123():187-93. PubMed ID: 24394534
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  • 16. 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 05; 78(2):826-34. PubMed ID: 21216662
    [Abstract] [Full Text] [Related]

  • 17. FT-IR vibrational spectrum and DFT:B3LYP/6-311G structure and vibrational analysis of bis-serinenickel(II) complex: [Ni(Ser)2].
    Ramos JM, Versiane O, Felcman J, Téllez S CA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul 05; 67(3-4):1046-54. PubMed ID: 17204449
    [Abstract] [Full Text] [Related]

  • 18. Fourier-transform infrared spectrum of aspartate hydroxo-aqua nickel (II) complex and DFT-B3LYP/3-21G and 6-311G structural and vibrational calculations.
    Versiani Cabral O, Téllez S CA, Giannerini T, Felcman J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan 01; 61(1-2):337-45. PubMed ID: 15556458
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  • 19. 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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  • 20. Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H₂O: DFT quantum mechanical calculations.
    Ramos JM, de M Cruz MT, Costa AC, Ondar GF, Ferreira GB, Raniero L, Martin AA, Versiane O, Téllez Soto CA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 15; 97():1041-51. PubMed ID: 22925980
    [Abstract] [Full Text] [Related]

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