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327 related items for PubMed ID: 16697251

  • 21. 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; 66(3):773-80. PubMed ID: 16870498
    [Abstract] [Full Text] [Related]

  • 22. Temperature dependent polarized Raman spectra of nonaaqualanthanoid (Pr) single crystal.
    Jayasree RS, Bushiri MJ, John A, Nayar VU.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 May 15; 64(2):518-25. PubMed ID: 16332452
    [Abstract] [Full Text] [Related]

  • 23. Vibrational spectra of palladium 5-nitrofuryl thiosemicarbazone complexes: experimental and theoretical study.
    Gambino D, Otero L, Vieites M, Boiani M, González M, Baran EJ, Cerecetto H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Oct 15; 68(2):341-8. PubMed ID: 17321785
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  • 24. Vibrational and electronic structure of the dinuclear bis(mu-nitrido) vanadium(v) complex [V(N{N"}2)(mu-N)]2: spectroscopic properties of the M2(mu-N)2 diamond core.
    Studt F, Lamarche VM, Clentsmith GK, Cloke FG, Tuczek F.
    Dalton Trans; 2005 Mar 21; (6):1052-7. PubMed ID: 15739007
    [Abstract] [Full Text] [Related]

  • 25. Formation of an ion-pair molecule with a single NH(+)...Cl(-) hydrogen bond: Raman spectra of 1,1,3,3-tetramethylguanidinium chloride in the solid state, in solution, and in the vapor phase.
    Berg RW, Riisager A, Fehrmann R.
    J Phys Chem A; 2008 Sep 18; 112(37):8585-92. PubMed ID: 18714951
    [Abstract] [Full Text] [Related]

  • 26. 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 18; 67(3-4):830-6. PubMed ID: 17018261
    [Abstract] [Full Text] [Related]

  • 27. FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of alpha,alpha dichlorotoluene.
    Nagabalasubramanian PB, Periandy S, Mohan S, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 15; 73(2):277-80. PubMed ID: 19345137
    [Abstract] [Full Text] [Related]

  • 28. 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]

  • 29. Structural and polarized vibrational studies of pentacaesium trihydrogentetraselenate monohydrate.
    Drozd M, Baran J, Ratajczak H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Mar 01; 63(3):646-68. PubMed ID: 16406839
    [Abstract] [Full Text] [Related]

  • 30. 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 01; 67(3-4):1055-9. PubMed ID: 17088098
    [Abstract] [Full Text] [Related]

  • 31. Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.
    Li XH, Tang ZX, Zhang XZ.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):168-73. PubMed ID: 19553157
    [Abstract] [Full Text] [Related]

  • 32. FT-IR and Raman spectra vibrational assignments and density functional calculations of 1-naphthyl acetic acid.
    Krishnakumar V, Mathammal R, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun 15; 70(1):210-6. PubMed ID: 17804282
    [Abstract] [Full Text] [Related]

  • 33. Experimental (FTIR and FT-Raman) and ab initio and DFT study of vibrational frequencies of 5-amino-2-nitrobenzoic acid.
    Ramalingam M, Sundaraganesan N, Saleem H, Swaminathan J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 01; 71(1):23-30. PubMed ID: 18178128
    [Abstract] [Full Text] [Related]

  • 34. Structural, vibrational and ab initio studies of L-histidine oxalate.
    Dammak T, Fourati N, Abid Y, Boughzala H, Mlayah A, Minot C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr 01; 66(4-5):1097-101. PubMed ID: 16876465
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  • 35. [Study on the spectra of NTO and its rubidium salt in aqueous solution].
    Xia SP, Hu MC, Gao SY, Jiang YC.
    Guang Pu Xue Yu Guang Pu Fen Xi; 2005 May 01; 25(5):734-8. PubMed ID: 16128076
    [Abstract] [Full Text] [Related]

  • 36. Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles.
    Mukherjee V, Singh K, Singh NP, Yadav RA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1571-80. PubMed ID: 18693066
    [Abstract] [Full Text] [Related]

  • 37. Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde.
    Gunasekaran S, Seshadri S, Muthu S, Kumaresan S, Arunbalaji R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug 15; 70(3):550-6. PubMed ID: 17870655
    [Abstract] [Full Text] [Related]

  • 38. Vibrational spectrum, conformational stability, structural parameters and ab initio calculations of dimethylaminodifluorophosphine.
    Durig JR, Panikar S, Zhou X, El Defrawy AM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar 15; 69(3):715-25. PubMed ID: 17604210
    [Abstract] [Full Text] [Related]

  • 39. 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 15; 67(3-4):1046-54. PubMed ID: 17204449
    [Abstract] [Full Text] [Related]

  • 40. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS, Kalkoti GB, Aralakkanavar MK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):200-4. PubMed ID: 19560961
    [Abstract] [Full Text] [Related]

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