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Journal Abstract Search

287 related items for PubMed ID: 16876465

  • 61. Infrared and laser Raman studies of bis(L-threoninium) sulphate monohydrate.
    Jinnah MM, Umadevi M, Ravikumar B, Ramakrishnan V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Nov; 60(13):2977-83. PubMed ID: 15477133
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  • 62. Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies.
    Yenagi J, Arlikatti NV, Tonannavar J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Dec; 77(5):1025-33. PubMed ID: 20884284
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  • 63. Crystal and molecular structure of N-(4-nitrophenyl)-β-alanine--its vibrational spectra and theoretical calculations.
    Marchewka MK, Drozd M, Janczak J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 15; 79(4):758-66. PubMed ID: 20980195
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  • 64. 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
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  • 65. Computationally-assisted approach to the vibrational spectra of molecular crystals: study of hydrogen-bonding and pseudo-polymorphism.
    Nolasco MM, Amado AM, Ribeiro-Claro PJ.
    Chemphyschem; 2006 Oct 13; 7(10):2150-61. PubMed ID: 16983716
    [Abstract] [Full Text] [Related]

  • 66. 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
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  • 67. Probes on L-lysine monohydrochloride dihydrate: a semiorganic nonlinear optical crystal.
    Krishnakumar V, Nagalakshmi R, Manohar S, Kocsis L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov 15; 71(2):471-9. PubMed ID: 18316241
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  • 68. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.
    Arjunan V, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar 15; 72(2):436-44. PubMed ID: 19081287
    [Abstract] [Full Text] [Related]

  • 69. Comparison of experimental and ab initio HF and DFT vibrational spectra of benzimidazole.
    Sundaraganesan N, Ilakiamani S, Subramani P, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul 15; 67(3-4):628-35. PubMed ID: 16979935
    [Abstract] [Full Text] [Related]

  • 70. Vibrational spectra of the ortho-nitroanilinium cation in torsional space. Theoretical studies vs. experimental data of ortho-nitroanilinium chloride.
    Daszkiewicz M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():776-85. PubMed ID: 24971718
    [Abstract] [Full Text] [Related]

  • 71. Crystal structure, differential scanning calorimetry and vibrational low temperature investigation of C(NH2)3 x HSeO4.
    Drozd M, Baran J, Pietraszko A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep 11; 61(11-12):2775-87. PubMed ID: 16043078
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  • 72. Structural and vibrational study of a new organic hydrogen sulfate.
    Belhouchet M, Bahri M, Savariault JM, Mhiri T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan 14; 61(3):387-93. PubMed ID: 15582805
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  • 73. HF, MP2 and DFT calculations and spectroscopic study of the vibrational and conformational properties of N-diethylendiamine.
    Elleuch S, Feki H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 14; 68(3):942-7. PubMed ID: 17317286
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  • 74. Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):154-61. PubMed ID: 19523872
    [Abstract] [Full Text] [Related]

  • 75. Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine.
    Krishnakumar V, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 15; 68(3):833-8. PubMed ID: 17317283
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  • 76. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2-amino-5-methylphenol.
    Sundaraganesan N, Anand B, Joshua BD.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun 15; 67(2):550-8. PubMed ID: 16996297
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  • 77. Structure and vibrational study of the trimethylammonium hexafluorosilicate [(CH3)3NH]2SiF6 compound.
    Ouasri A, Rhandour A, Dhamelincourt MC, Dhamelincourt P, Mazzah A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2003 Mar 01; 59(4):851-7. PubMed ID: 12609635
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  • 78. Crystal and molecular structure of DL-serine hydrochloride studied by X-ray diffraction, low-temperature Fourier transform infrared spectroscopy and DFT(B3LYP) calculations.
    Jarmelo S, Reva I, Rozenberg M, Silva MR, Beja AM, Fausto R.
    J Phys Chem B; 2008 Jul 10; 112(27):8032-41. PubMed ID: 18558756
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  • 79. Raman structural markers of tryptophan and histidine side chains in proteins.
    Takeuchi H.
    Biopolymers; 2003 Jul 10; 72(5):305-17. PubMed ID: 12949821
    [Abstract] [Full Text] [Related]

  • 80. Infrared and Raman spectroscopic studies of l-valine l-valinium perchlorate monohydrate.
    Pandiarajan S, Umadevi M, Rajaram RK, Ramakrishnan V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov 10; 62(1-3):630-6. PubMed ID: 16257768
    [Abstract] [Full Text] [Related]

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