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Journal Abstract Search

3758 related items for PubMed ID: 19267473

  • 21.
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  • 22. Novel pathways for oxygen insertion into unactivated C-H bonds by dioxiranes. Transition structures for stepwise routes via radical pairs and comparison with the concerted pathway.
    Freccero M, Gandolfi R, Sarzi-Amadè M, Rastelli A.
    J Org Chem; 2003 Feb 07; 68(3):811-23. PubMed ID: 12558403
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  • 23. DFT study of the mechanisms of in water Au(I)-catalyzed tandem [3,3]-rearrangement/Nazarov reaction/[1,2]-hydrogen shift of enynyl acetates: a proton-transport catalysis strategy in the water-catalyzed [1,2]-hydrogen shift.
    Shi FQ, Li X, Xia Y, Zhang L, Yu ZX.
    J Am Chem Soc; 2007 Dec 19; 129(50):15503-12. PubMed ID: 18027935
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  • 24. Olefin epoxidation with tert-butyl hydroperoxide catalyzed by MoO2X2L complexes: a DFT mechanistic study.
    Veiros LF, Prazeres A, Costa PJ, Romão CC, Kühn FE, José Calhorda M.
    Dalton Trans; 2006 Mar 21; (11):1383-9. PubMed ID: 16518507
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  • 25. Theoretical study on the mechanism of a ring-opening reaction of oxirane by the active-site aspartic dyad of HIV-1 protease.
    Kóna J.
    Org Biomol Chem; 2008 Jan 21; 6(2):359-65. PubMed ID: 18175006
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  • 28. Excited-state proton transfer through water bridges and structure of hydrogen-bonded complexes in 1H-pyrrolo[3,2-h]quinoline: adiabatic time-dependent density functional theory study.
    Kyrychenko A, Waluk J.
    J Phys Chem A; 2006 Nov 02; 110(43):11958-67. PubMed ID: 17064184
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  • 30. Mechanism of the divanadium-substituted polyoxotungstate [gamma-1,2-H2SiV2W10O40]4- catalyzed olefin epoxidation by H2O2: a computational study.
    Kuznetsov AE, Geletii YV, Hill CL, Morokuma K, Musaev DG.
    Inorg Chem; 2009 Mar 02; 48(5):1871-8. PubMed ID: 19235950
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  • 31. The 1deltag dioxygen ene reaction with propene: a density functional and multireference perturbation theory mechanistic study.
    Maranzana A, Ghigo G, Tonachini G.
    Chemistry; 2003 Jun 06; 9(11):2616-26. PubMed ID: 12794905
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  • 32. Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study.
    Prabhakar R, Vreven T, Frisch MJ, Morokuma K, Musaev DG.
    J Phys Chem B; 2006 Jul 13; 110(27):13608-13. PubMed ID: 16821888
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  • 33. Peptide bond formation via glycine condensation in the gas phase.
    Van Dornshuld E, Vergenz RA, Tschumper GS.
    J Phys Chem B; 2014 Jul 24; 118(29):8583-90. PubMed ID: 24992687
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  • 34. DFT study of the glutathione peroxidase-like activity of phenylselenol incorporating solvent-assisted proton exchange.
    Bayse CA.
    J Phys Chem A; 2007 Sep 20; 111(37):9070-5. PubMed ID: 17718544
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  • 40. Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water.
    Takahashi H, Tanabe K, Aketa M, Kishi R, Furukawa S, Nakano M.
    J Chem Phys; 2007 Feb 28; 126(8):084508. PubMed ID: 17343459
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