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469 related items for PubMed ID: 16833393

  • 41. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4.
    Marabello D, Bianchi R, Gervasio G, Cargnoni F.
    Acta Crystallogr A; 2004 Sep; 60(Pt 5):494-501. PubMed ID: 15477690
    [Abstract] [Full Text] [Related]

  • 42. Topological analysis and charge density studies of an alpha-diimine macrocyclic complex of cobalt(II)--a combined experimental and theoretical study.
    Lee JJ, Lee GH, Wang Y.
    Chemistry; 2002 Apr 15; 8(8):1821-32. PubMed ID: 12007092
    [Abstract] [Full Text] [Related]

  • 43. Adsorption of alkenes on acidic zeolites. Theoretical study based on the electron charge density.
    Zalazar MF, Duarte DJ, Peruchena NM.
    J Phys Chem A; 2009 Dec 10; 113(49):13797-807. PubMed ID: 19888712
    [Abstract] [Full Text] [Related]

  • 44. Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities.
    Gibbs GV, Cox DF, Crawford TD, Rosso KM, Ross NL, Downs RT.
    J Chem Phys; 2006 Feb 28; 124(8):084704. PubMed ID: 16512733
    [Abstract] [Full Text] [Related]

  • 45. Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.
    Lyssenko KA, Korlyukov AA, Golovanov DG, Ketkov SY, Antipin MY.
    J Phys Chem A; 2006 May 25; 110(20):6545-51. PubMed ID: 16706413
    [Abstract] [Full Text] [Related]

  • 46. Experimental and theoretical charge density study of the chemical bonding in chlorokojic acid crystal structure.
    Krawczuk A, Stadnicka K.
    J Phys Chem A; 2012 Oct 04; 116(39):9759-68. PubMed ID: 22954225
    [Abstract] [Full Text] [Related]

  • 47. Atoms-in-molecules study of intra- and intermolecular bonding in the pentaerythritol tetranitrate crystal.
    Zhurova EA, Stash AI, Tsirelson VG, Zhurov VV, Bartashevich EV, Potemkin VA, Pinkerton AA.
    J Am Chem Soc; 2006 Nov 15; 128(45):14728-34. PubMed ID: 17090061
    [Abstract] [Full Text] [Related]

  • 48. The whole range of hydrogen bonds in one crystal structure: neutron diffraction and charge-density studies of N,N-dimethylbiguanidinium bis(hydrogensquarate).
    Şerb MD, Wang R, Meven M, Englert U.
    Acta Crystallogr B; 2011 Dec 15; 67(Pt 6):552-9. PubMed ID: 22101544
    [Abstract] [Full Text] [Related]

  • 49. Shared and closed-shell O-O interactions in silicates.
    Gibbs GV, Downs RT, Cox DF, Ross NL, Boisen MB, Rosso KM.
    J Phys Chem A; 2008 Apr 24; 112(16):3693-9. PubMed ID: 18324795
    [Abstract] [Full Text] [Related]

  • 50. C-H...N and C-H...S hydrogen bonds--influence of hybridization on their strength.
    Domagała M, Grabowski SJ.
    J Phys Chem A; 2005 Jun 30; 109(25):5683-8. PubMed ID: 16833901
    [Abstract] [Full Text] [Related]

  • 51. Atoms-in-molecules analysis of extended hypervalent five-center, six-electron (5c-6e) C(2)Z(2)O interactions at the 1,8,9-positions of anthraquinone and 9-methoxyanthracene systems.
    Nakanishi W, Nakamoto T, Hayashi S, Sasamori T, Tokitoh N.
    Chemistry; 2007 Jun 30; 13(1):255-68. PubMed ID: 17066493
    [Abstract] [Full Text] [Related]

  • 52. Si-O bonded interactions in silicate crystals and molecules: a comparison.
    Gibbs GV, Jayatilaka D, Spackman MA, Cox DF, Rosso KM.
    J Phys Chem A; 2006 Nov 23; 110(46):12678-83. PubMed ID: 17107120
    [Abstract] [Full Text] [Related]

  • 53. Energy ranking of molecular crystals using density functional theory calculations and an empirical van der waals correction.
    Neumann MA, Perrin MA.
    J Phys Chem B; 2005 Aug 18; 109(32):15531-41. PubMed ID: 16852970
    [Abstract] [Full Text] [Related]

  • 54. The properties of weak and strong dihydrogen-bonded D-H...H-A complexes.
    Cybulski H, Tymińska E, Sadlej J.
    Chemphyschem; 2006 Mar 13; 7(3):629-39. PubMed ID: 16477668
    [Abstract] [Full Text] [Related]

  • 55. Supramolecular silanol chemistry in the gas phase. Topological (AIM) and population (NBO) analyses of hydrogen-bonded complexes between H3SiOH and selected O- and N-acceptor molecules.
    Beckmann J, Grabowsky S.
    J Phys Chem A; 2007 Mar 15; 111(10):2011-9. PubMed ID: 17305322
    [Abstract] [Full Text] [Related]

  • 56. Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene.
    Chen YS, Stash AI, Pinkerton AA.
    Acta Crystallogr B; 2007 Apr 15; 63(Pt 2):309-18. PubMed ID: 17374942
    [Abstract] [Full Text] [Related]

  • 57. Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives.
    Figueira J, Rodrigues J, Russo L, Rissanen K.
    Acta Crystallogr C; 2008 Feb 15; 64(Pt 2):o33-6. PubMed ID: 18253000
    [Abstract] [Full Text] [Related]

  • 58. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions.
    Cuffini S, Glidewell C, Low JN, de Oliveira AG, de Souza MV, Vasconcelos TR, Wardell SM, Wardell JL.
    Acta Crystallogr B; 2006 Aug 15; 62(Pt 4):651-65. PubMed ID: 16840815
    [Abstract] [Full Text] [Related]

  • 59. Electron density distribution of an oxamato bridged Mn(II)-Cu(II) bimetallic chain and correlation to magnetic properties.
    Pillet S, Souhassou M, Mathonière C, Lecomte C.
    J Am Chem Soc; 2004 Feb 04; 126(4):1219-28. PubMed ID: 14746494
    [Abstract] [Full Text] [Related]

  • 60. Organic chlorine as a hydrogen-bridge acceptor: evidence for the existence of intramolecular O--H...Cl--C interactions in some gem-alkynols.
    Banerjee R, Desiraju GR, Mondal R, Howard JA.
    Chemistry; 2004 Jul 19; 10(14):3373-83. PubMed ID: 15252783
    [Abstract] [Full Text] [Related]

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