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Journal Abstract Search

276 related items for PubMed ID: 16834287

  • 1.
    ; . PubMed ID:
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  • 2. The QTAIM approach to chemical bonding between transition metals and carbocyclic rings: a combined experimental and theoretical study of (eta(5)-C5H5)Mn(CO)3, (eta(6)-C6H6)Cr(CO)3, and (E)-{(eta(5)-C5H4)CF=CF(eta(5)-C5H4)}(eta(5)-C5H5)2Fe2.
    Farrugia LJ, Evans C, Lentz D, Roemer M.
    J Am Chem Soc; 2009 Jan 28; 131(3):1251-68. PubMed ID: 19102692
    [Abstract] [Full Text] [Related]

  • 3. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4.
    Lo Presti L, Destro R.
    J Chem Phys; 2008 Jan 28; 128(4):044710. PubMed ID: 18247984
    [Abstract] [Full Text] [Related]

  • 4. Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10.
    Farrugia LJ, Senn HM.
    J Phys Chem A; 2010 Dec 30; 114(51):13418-33. PubMed ID: 21182291
    [Abstract] [Full Text] [Related]

  • 5. Chemical bonds without "chemical bonding"? A combined experimental and theoretical charge density study on an iron trimethylenemethane complex.
    Farrugia LJ, Evans C, Tegel M.
    J Phys Chem A; 2006 Jun 29; 110(25):7952-61. PubMed ID: 16789785
    [Abstract] [Full Text] [Related]

  • 6. The charge density of urea from synchrotron diffraction data.
    Birkedal H, Madsen D, Mathiesen RH, Knudsen K, Weber HP, Pattison P, Schwarzenbach D.
    Acta Crystallogr A; 2004 Sep 29; 60(Pt 5):371-81. PubMed ID: 15477674
    [Abstract] [Full Text] [Related]

  • 7. Experimental charge density of L-alanyl-L-prolyl-L-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties.
    Kalinowski R, Dittrich B, Hübschle CB, Paulmann C, Luger P.
    Acta Crystallogr B; 2007 Oct 29; 63(Pt 5):753-67. PubMed ID: 17873445
    [Abstract] [Full Text] [Related]

  • 8. Experimental charge-density study of paracetamol--multipole refinement in the presence of a disordered methyl group.
    Bak JM, Dominiak PM, Wilson CC, Woźniak K.
    Acta Crystallogr A; 2009 Nov 29; 65(Pt 6):490-500. PubMed ID: 19844032
    [Abstract] [Full Text] [Related]

  • 9. Synchrotron X-ray charge-density study of coordination polymer [Mn(HCOO)2(H2O)2]infinity.
    Poulsen RD, Jørgensen MR, Overgaard J, Larsen FK, Morgenroth W, Graber T, Chen YS, Iversen BB.
    Chemistry; 2007 Nov 29; 13(35):9775-90. PubMed ID: 17992669
    [Abstract] [Full Text] [Related]

  • 10. Progress in the understanding of drug-receptor interactions, part 2: experimental and theoretical electrostatic moments and interaction energies of an angiotensin II receptor antagonist (C30H30N6(O)3S).
    Soave R, Barzaghi M, Destro R.
    Chemistry; 2007 Nov 29; 13(24):6942-56. PubMed ID: 17539033
    [Abstract] [Full Text] [Related]

  • 11. Experimental and theoretical charge density study of chemical bonding in a Co dimer complex.
    Overgaard J, Clausen HF, Platts JA, Iversen BB.
    J Am Chem Soc; 2008 Mar 26; 130(12):3834-43. PubMed ID: 18314974
    [Abstract] [Full Text] [Related]

  • 12. Modeling of the nuclear parameters for H atoms in X-ray charge-density studies.
    Madsen AØ, Sørensen HO, Flensburg C, Stewart RF, Larsen S.
    Acta Crystallogr A; 2004 Nov 26; 60(Pt 6):550-61. PubMed ID: 15507737
    [Abstract] [Full Text] [Related]

  • 13. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.
    Hathwar VR, Guru Row TN.
    J Phys Chem A; 2010 Dec 30; 114(51):13434-41. PubMed ID: 21141867
    [Abstract] [Full Text] [Related]

  • 14. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
    Pandey KK, Lledós A.
    Inorg Chem; 2009 Apr 06; 48(7):2748-59. PubMed ID: 19256519
    [Abstract] [Full Text] [Related]

  • 15. Experimental and theoretical characterization of the Zn-Zn bond in [Zn2(eta5-C5Me5)2].
    Van der Maelen JF, Gutiérrez-Puebla E, Monge A, García-Granda S, Resa I, Carmona E, Fernández-Díaz MT, McIntyre GJ, Pattison P, Weber HP.
    Acta Crystallogr B; 2007 Dec 06; 63(Pt 6):862-8. PubMed ID: 18004041
    [Abstract] [Full Text] [Related]

  • 16. Experimental and theoretical charge density distribution in two ternary cobalt(III) complexes of aromatic amino acids.
    Overgaard J, Waller MP, Piltz R, Platts JA, Emseis P, Leverett P, Williams PA, Hibbs DE.
    J Phys Chem A; 2007 Oct 11; 111(40):10123-33. PubMed ID: 17877334
    [Abstract] [Full Text] [Related]

  • 17. Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides.
    Gibbs GV, Downs RT, Cox DF, Rosso KM, Ross NL, Kirfel A, Lippmann T, Morgenroth W, Crawford TD.
    J Phys Chem A; 2008 Sep 18; 112(37):8811-23. PubMed ID: 18714960
    [Abstract] [Full Text] [Related]

  • 18. Electron distribution and molecular motion in crystalline benzene: an accurate experimental study combining CCD X-ray data on C6H6 with multitemperature neutron-diffraction results on C6D6.
    Bürgi HB, Capelli SC, Goeta AE, Howard JA, Spackman MA, Yufit DS.
    Chemistry; 2002 Aug 02; 8(15):3512-21. PubMed ID: 12203331
    [Abstract] [Full Text] [Related]

  • 19. Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions.
    Gervasio G, Marabello D, Bianchi R, Forni A.
    J Phys Chem A; 2010 Sep 02; 114(34):9368-73. PubMed ID: 20795739
    [Abstract] [Full Text] [Related]

  • 20. Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities.
    Tsirelson VG, Stash AI, Potemkin VA, Rykounov AA, Shutalev AD, Zhurova EA, Zhurov VV, Pinkerton AA, Gurskaya GV, Zavodnik VE.
    Acta Crystallogr B; 2006 Aug 02; 62(Pt 4):676-88. PubMed ID: 16840817
    [Abstract] [Full Text] [Related]

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