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Journal Abstract Search

451 related items for PubMed ID: 19235950

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  • 3. A computational study of the olefin epoxidation mechanism catalyzed by cyclopentadienyloxidomolybdenum(VI) complexes.
    Comas-Vives A, Lledós A, Poli R.
    Chemistry; 2010 Feb 15; 16(7):2147-58. PubMed ID: 20058281
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  • 4. Partial oxidation of propylene to propylene oxide over a neutral gold trimer in the gas phase: a density functional theory study.
    Joshi AM, Delgass WN, Thomson KT.
    J Phys Chem B; 2006 Feb 16; 110(6):2572-81. PubMed ID: 16471857
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  • 6. Insights into the mechanism of selective olefin epoxidation catalyzed by [gamma-(SiO4)W10O32H4]4-. A computational study.
    Prabhakar R, Morokuma K, Hill CL, Musaev DG.
    Inorg Chem; 2006 Jul 10; 45(14):5703-9. PubMed ID: 16813436
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  • 7. Detailed spectroscopic, thermodynamic, and kinetic studies on the protolytic equilibria of Fe(III)cydta and the activation of hydrogen peroxide.
    Brausam A, Maigut J, Meier R, Szilágyi PA, Buschmann HJ, Massa W, Homonnay Z, van Eldik R.
    Inorg Chem; 2009 Aug 17; 48(16):7864-84. PubMed ID: 19618946
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  • 8. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.
    Stare J, Henson NJ, Eckert J.
    J Chem Inf Model; 2009 Apr 17; 49(4):833-46. PubMed ID: 19267473
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  • 9. A quantum chemical study of comparison of various propylene epoxidation mechanisms using H2O2 and TS-1 Catalyst.
    Wells DH, Joshi AM, Delgass WN, Thomson KT.
    J Phys Chem B; 2006 Aug 03; 110(30):14627-39. PubMed ID: 16869565
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  • 10. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
    Freccero M, Di Valentin C, Sarzi-Amadè M, DFT study.
    J Am Chem Soc; 2003 Mar 26; 125(12):3544-53. PubMed ID: 12643716
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  • 11. Computational studies of the geometry and electronic structure of an all-inorganic and homogeneous tetra-Ru-polyoxotungstate catalyst for water oxidation and its four subsequent one-electron oxidized forms.
    Quiñonero D, Kaledin AL, Kuznetsov AE, Geletii YV, Besson C, Hill CL, Musaev DG.
    J Phys Chem A; 2010 Jan 14; 114(1):535-42. PubMed ID: 19957979
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  • 12. Mechanistic insights into alkene epoxidation with H2O2 by Ti- and other TM-containing polyoxometalates: role of the metal nature and coordination environment.
    Antonova NS, Carbó JJ, Kortz U, Kholdeeva OA, Poblet JM.
    J Am Chem Soc; 2010 Jun 02; 132(21):7488-97. PubMed ID: 20446693
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  • 13. Mechanisms of the reactions of W AND W+ with H2O: computational studies.
    Musaev DG, Xu S, Irle S, Lin MC.
    J Phys Chem A; 2006 Apr 06; 110(13):4495-501. PubMed ID: 16571055
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  • 14. Olefin epoxidation by H2O2/MeCN catalysed by cyclopentadienyloxidotungsten(VI) and molybdenum(VI) complexes: experiments and computations.
    Dinoi C, Ciclosi M, Manoury E, Maron L, Perrin L, Poli R.
    Chemistry; 2010 Aug 16; 16(31):9572-84. PubMed ID: 20496357
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  • 15. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
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  • 16. Mechanism of [gamma-H2SiV2W10O40](4-)-catalyzed epoxidation of alkenes with hydrogen peroxide.
    Nakagawa Y, Mizuno N.
    Inorg Chem; 2007 Mar 05; 46(5):1727-36. PubMed ID: 17319734
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  • 17. Radical formation in the [MeReO3]-catalyzed aqueous peroxidative oxidation of alkanes: a theoretical mechanistic study.
    Kuznetsov ML, Pombeiro AJ.
    Inorg Chem; 2009 Jan 05; 48(1):307-18. PubMed ID: 19049432
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  • 18. Metal-peroxo versus metal-oxo oxidants in non-heme iron-catalyzed olefin oxidations: computational and experimental studies on the effect of water.
    Quiñonero D, Morokuma K, Musaev DG, Mas-Ballesté R, Que L.
    J Am Chem Soc; 2005 May 11; 127(18):6548-9. PubMed ID: 15869272
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  • 19. Polyoxometalate catalysts: toward the development of green H2O2-based epoxidation systems.
    Mizuno N, Yamaguchi K.
    Chem Rec; 2006 May 11; 6(1):12-22. PubMed ID: 16470800
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  • 20. On the mechanisms of oxidation of organic sulfides by H2O2 in aqueous solutions.
    Chu JW, Trout BL.
    J Am Chem Soc; 2004 Jan 28; 126(3):900-8. PubMed ID: 14733566
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