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Journal Abstract Search

164 related items for PubMed ID: 16855716

  • 21. A first-principles investigation of the effect of Pt cluster size on CO and NO oxidation intermediates and energetics.
    Xu Y, Getman RB, Shelton WA, Schneider WF.
    Phys Chem Chem Phys; 2008 Oct 21; 10(39):6009-18. PubMed ID: 18825289
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  • 22. Quantum chemical modelling of the rate determining step for oxygen reduction on quinones.
    Wass JR, Ahlberg E, Panas I, Schiffrin DJ.
    Phys Chem Chem Phys; 2006 Sep 28; 8(36):4189-99. PubMed ID: 16971987
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  • 23. O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation.
    Chrétien S, Metiu H.
    J Chem Phys; 2008 Aug 21; 129(7):074705. PubMed ID: 19044790
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  • 24. 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
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  • 25. Structure and redox properties of the protein, rubredoxin, and its ligand and metal mutants studied by electronic structure calculation.
    Sundararajan M, Hillier IH, Burton NA.
    J Phys Chem A; 2006 Jan 19; 110(2):785-90. PubMed ID: 16405354
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  • 26. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ, Larsen RE, Schwartz BJ.
    J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282
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  • 27. The role of metal ions in oxygen activation.
    Veprek-Siska J.
    Acta Biol Med Ger; 1979 Oct 28; 38(2-3):357-61. PubMed ID: 517007
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  • 28. Ultrafast and ultraslow oxygen atom transfer reactions between late metal centers.
    Fortner KC, Laitar DS, Muldoon J, Pu L, Braun-Sand SB, Wiest O, Brown SN.
    J Am Chem Soc; 2007 Jan 24; 129(3):588-600. PubMed ID: 17227022
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  • 29. Activation of oxygen at metal surfaces.
    Carley AF, Davies PR, Roberts MW.
    Philos Trans A Math Phys Eng Sci; 2005 Apr 15; 363(1829):829-46; discussion 1035-40. PubMed ID: 15901538
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  • 30. Tridentate facial ligation of tris(pyridine-2-aldoximato)nickel(II) and tris(imidazole-2-aldoximato)nickel(II) To generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiII and the electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIII species: a magnetostructural, electrochemical, and EPR spectroscopic study.
    Chaudhuri P, Weyhermüller T, Wagner R, Khanra S, Biswas B, Bothe E, Bill E.
    Inorg Chem; 2007 Oct 15; 46(21):9003-16. PubMed ID: 17718561
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  • 31. A study on the stability of O2 on oxometalloporphyrins by the first principles calculations.
    Kubota Y, Escaño MC, Dy ES, Nakanishi H, Kasai H.
    J Chem Phys; 2007 May 21; 126(19):194303. PubMed ID: 17523800
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  • 36. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
    Dai RJ, Ke SC.
    J Phys Chem B; 2007 Mar 08; 111(9):2335-46. PubMed ID: 17295535
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  • 40. Reactivity of molecular dioxygen towards a series of isostructural dichloroiron(III) complexes with tripodal tetraamine ligands: general access to mu-oxodiiron(III) complexes and effect of alpha-fluorination on the reaction kinetics.
    Thallaj NK, Rotthaus O, Benhamou L, Humbert N, Elhabiri M, Lachkar M, Welter R, Albrecht-Gary AM, Mandon D.
    Chemistry; 2008 Mar 08; 14(22):6742-53. PubMed ID: 18561351
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