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348 related items for PubMed ID: 17249657

  • 1. Structure and bonding of vanadium(V) complexes with hydroxyurea in aqueous solution: density functional theory investigations of isomers and intramolecular rearrangements.
    Vrcek IV, Birus M, Bühl M.
    Inorg Chem; 2007 Feb 19; 46(4):1488-501. PubMed ID: 17249657
    [Abstract] [Full Text] [Related]

  • 2. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
    Varadwaj PR, Cukrowski I, Marques HM.
    J Phys Chem A; 2008 Oct 23; 112(42):10657-66. PubMed ID: 18823109
    [Abstract] [Full Text] [Related]

  • 3. A theoretical study of glucose mutarotation in aqueous solution.
    Silva AM, da Silva EC, da Silva CO.
    Carbohydr Res; 2006 Jun 12; 341(8):1029-40. PubMed ID: 16584715
    [Abstract] [Full Text] [Related]

  • 4. Aqueous chemistry of the vanadium(III) (V(III)) and the V(III)-dipicolinate systems and a comparison of the effect of three oxidation states of vanadium compounds on diabetic hyperglycemia in rats.
    Buglyó P, Crans DC, Nagy EM, Lindo RL, Yang L, Smee JJ, Jin W, Chi LH, Godzala Iii ME, Willsky GR.
    Inorg Chem; 2005 Jul 25; 44(15):5416-27. PubMed ID: 16022540
    [Abstract] [Full Text] [Related]

  • 5. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).
    Hancock RD, Bartolotti LJ.
    Inorg Chem; 2005 Oct 03; 44(20):7175-83. PubMed ID: 16180881
    [Abstract] [Full Text] [Related]

  • 6. Spectroscopic and potentiometric characterization of oxovanadium(IV) complexes formed by 3-hydroxy-4-pyridinones. Rationalization of the influence of basicity and electronic structure of the ligand on the properties of V(IV)O species in aqueous solution.
    Rangel M, Leite A, João Amorim M, Garribba E, Micera G, Lodyga-Chruscinska E.
    Inorg Chem; 2006 Oct 02; 45(20):8086-97. PubMed ID: 16999406
    [Abstract] [Full Text] [Related]

  • 7. Structure and stability of VO2+ in aqueous solution: a Car-Parrinello and static ab initio study.
    Sadoc A, Messaoudi S, Furet E, Gautier R, Le Fur E, le Pollès L, Pivan JY.
    Inorg Chem; 2007 Jun 11; 46(12):4835-43. PubMed ID: 17497771
    [Abstract] [Full Text] [Related]

  • 8. Stability, water exchange, and anion binding studies on lanthanide(III) complexes with a macrocyclic ligand based on 1,7-diaza-12-crown-4: extremely fast water exchange on the Gd3+ complex.
    Pálinkás Z, Roca-Sabio A, Mato-Iglesias M, Esteban-Gómez D, Platas-Iglesias C, de Blas A, Rodríguez-Blas T, Tóth E.
    Inorg Chem; 2009 Sep 21; 48(18):8878-89. PubMed ID: 19655713
    [Abstract] [Full Text] [Related]

  • 9. Hydration of copper(II): new insights from density functional theory and the COSMO solvation model.
    Bryantsev VS, Diallo MS, van Duin AC, Goddard WA.
    J Phys Chem A; 2008 Sep 25; 112(38):9104-12. PubMed ID: 18763748
    [Abstract] [Full Text] [Related]

  • 10. Molecular dynamics of a vanadate-dipeptide complex in aqueous solution.
    Bühl M.
    Inorg Chem; 2005 Sep 05; 44(18):6277-83. PubMed ID: 16124806
    [Abstract] [Full Text] [Related]

  • 11. Potentiometric, spectroscopic, electrochemical and DFT characterization of oxovanadium(IV) complexes formed by citrate and tartrates in aqueous solution at high ligand to metal molar ratios: the effects of the trigonal bipyramidal distortion in bis-chelated species and biological implications.
    Lodyga-Chruscinska E, Sanna D, Garribba E, Micera G.
    Dalton Trans; 2008 Sep 28; (36):4903-16. PubMed ID: 18766223
    [Abstract] [Full Text] [Related]

  • 12. Density functional theory study of uranium(VI) aquo chloro complexes in aqueous solution.
    Bühl M, Sieffert N, Golubnychiy V, Wipff G.
    J Phys Chem A; 2008 Mar 20; 112(11):2428-36. PubMed ID: 18269268
    [Abstract] [Full Text] [Related]

  • 13. Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups--structure, characterization and hydrogen peroxide mediated sulfide oxygenation.
    Plitt P, Pritzkow H, Kramer R.
    Dalton Trans; 2004 Aug 07; (15):2314-20. PubMed ID: 15278124
    [Abstract] [Full Text] [Related]

  • 14. The donor ability of the chelated carbonate ligand: protonation and metallation of [(L)Co(O2CO)]+ complexes in aqueous solution.
    McClintock LF, Cavigliasso G, Stranger R, Blackman AG.
    Dalton Trans; 2008 Oct 07; (37):4984-92. PubMed ID: 18802610
    [Abstract] [Full Text] [Related]

  • 15. Structural and spectroscopic evidence for the formation of trinuclear and tetranuclear vanadium(III)/carboxylate complexes of acetate and related derivatives in aqueous solution.
    Mukherjee R, Dougan BA, Fry FH, Bunge SD, Ziegler CJ, Brasch NE.
    Inorg Chem; 2007 Mar 05; 46(5):1575-85. PubMed ID: 17279741
    [Abstract] [Full Text] [Related]

  • 16. Synthesis, characterization, and application of vanadium-salan complexes in oxygen transfer reactions.
    Adão P, Costa Pessoa J, Henriques RT, Kuznetsov ML, Avecilla F, Maurya MR, Kumar U, Correia I.
    Inorg Chem; 2009 Apr 20; 48(8):3542-61. PubMed ID: 19290614
    [Abstract] [Full Text] [Related]

  • 17. Oxoperoxo vanadium(V) complexes of L-lactic acid: density functional theory study of structure and NMR chemical shifts.
    Justino LL, Ramos ML, Nogueira F, Sobral AJ, Geraldes CF, Kaupp M, Burrows HD, Fiolhais C, Gil VM.
    Inorg Chem; 2008 Aug 18; 47(16):7317-26. PubMed ID: 18627141
    [Abstract] [Full Text] [Related]

  • 18. Computational study of copper(II) complexation and hydrolysis in aqueous solutions using mixed cluster/continuum models.
    Bryantsev VS, Diallo MS, Goddard WA.
    J Phys Chem A; 2009 Aug 27; 113(34):9559-67. PubMed ID: 19655778
    [Abstract] [Full Text] [Related]

  • 19. Thermodynamic study of proton transfer reactions of Re(V) trans-dioxocomplexes in aqueous solution.
    Gancheff JS, Kremer C, Denis PA, Giorgi C, Bianchi A.
    Dalton Trans; 2009 Oct 21; (39):8257-68. PubMed ID: 19789778
    [Abstract] [Full Text] [Related]

  • 20. Stability of different zinc(II)-diamine complexes in aqueous solution with respect to structure and dynamics: a QM/MM MD study.
    Fatmi MQ, Hofer TS, Randolf BR, Rode BM.
    J Phys Chem B; 2007 Jan 11; 111(1):151-8. PubMed ID: 17201439
    [Abstract] [Full Text] [Related]

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