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331 related items for PubMed ID: 16836419

  • 1. Carbon-cobalt bond distance and bond cleavage in one-electron reduced methylcobalamin: a failure of the conventional DFT method.
    Spataru T, Birke RL.
    J Phys Chem A; 2006 Jul 20; 110(28):8599-604. PubMed ID: 16836419
    [Abstract] [Full Text] [Related]

  • 2. Reductive cleavage mechanism of methylcobalamin: elementary steps of Co-C bond breaking.
    Kozlowski PM, Kuta J, Galezowski W.
    J Phys Chem B; 2007 Jul 05; 111(26):7638-45. PubMed ID: 17567060
    [Abstract] [Full Text] [Related]

  • 3. Photodissociation of Co-C bond in methyl- and ethylcobalamin: an insight from TD-DFT calculations.
    Lodowski P, Jaworska M, Andruniów T, Kumar M, Kozlowski PM.
    J Phys Chem B; 2009 May 14; 113(19):6898-909. PubMed ID: 19374399
    [Abstract] [Full Text] [Related]

  • 4. Mechanism of Co-C bond photolysis in methylcobalamin: influence of axial base.
    Lodowski P, Jaworska M, Garabato BD, Kozlowski PM.
    J Phys Chem A; 2015 Apr 30; 119(17):3913-28. PubMed ID: 25837554
    [Abstract] [Full Text] [Related]

  • 5. Which DFT functional performs well in the calculation of methylcobalamin? Comparison of the B3LYP and BP86 functionals and evaluation of the impact of empirical dispersion correction.
    Hirao H.
    J Phys Chem A; 2011 Aug 25; 115(33):9308-13. PubMed ID: 21806069
    [Abstract] [Full Text] [Related]

  • 6. Electronic structure of one-electron-oxidized form of the methylcobalamin cofactor: spin density distribution and pseudo-Jahn-teller effect.
    Kumar N, Kuta J, Galezowski W, Kozlowski PM.
    Inorg Chem; 2013 Feb 18; 52(4):1762-71. PubMed ID: 23360322
    [Abstract] [Full Text] [Related]

  • 7. Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin.
    Andruniów T, Jaworska M, Lodowski P, Zgierski MZ, Dreos R, Randaccio L, Kozlowski PM.
    J Chem Phys; 2008 Aug 28; 129(8):085101. PubMed ID: 19044851
    [Abstract] [Full Text] [Related]

  • 8. Electronic structure of cofactor-substrate reactant complex involved in the methyl transfer reaction catalyzed by cobalamin-dependent methionine synthase.
    Kumar N, Jaworska M, Lodowski P, Kumar M, Kozlowski PM.
    J Phys Chem B; 2011 May 26; 115(20):6722-31. PubMed ID: 21539330
    [Abstract] [Full Text] [Related]

  • 9. Reductive cleavage mechanism of Co-C bond in cobalamin-dependent methionine synthase.
    Alfonso-Prieto M, Biarnés X, Kumar M, Rovira C, Kozlowski PM.
    J Phys Chem B; 2010 Oct 14; 114(40):12965-71. PubMed ID: 20853870
    [Abstract] [Full Text] [Related]

  • 10. Methylcobalamin's full- vs. "half"-strength cobalt-carbon sigma bonds and bond dissociation enthalpies: A >10(15) Co-CH3 homolysis rate enhancement following one-antibonding-electron reduction of methlycobalamin.
    Martin BD, Finke RG.
    J Am Chem Soc; 1992 Jan 14; 114(2):585-92. PubMed ID: 20000783
    [Abstract] [Full Text] [Related]

  • 11. Electron densities of three B12 vitamins.
    Mebs S, Henn J, Dittrich B, Paulmann C, Luger P.
    J Phys Chem A; 2009 Jul 23; 113(29):8366-78. PubMed ID: 19569666
    [Abstract] [Full Text] [Related]

  • 12. DFT study of Co-C bond cleavage in the neutral and one-electron-reduced alkyl-cobalt(III) phthalocyanines.
    Galezowski W, Kuta J, Kozlowski PM.
    J Phys Chem B; 2008 Mar 13; 112(10):3177-83. PubMed ID: 18271575
    [Abstract] [Full Text] [Related]

  • 13. Mechanism of Co-C bond photolysis in the base-on form of methylcobalamin.
    Lodowski P, Jaworska M, Andruniów T, Garabato BD, Kozlowski PM.
    J Phys Chem A; 2014 Dec 18; 118(50):11718-34. PubMed ID: 25383645
    [Abstract] [Full Text] [Related]

  • 14. Photolysis of methylcobalamin: identification of the relevant excited states involved in Co-C bond scission.
    Jaworska M, Lodowski P, Andruniów T, Kozlowski PM.
    J Phys Chem B; 2007 Mar 15; 111(10):2419-22. PubMed ID: 17309292
    [Abstract] [Full Text] [Related]

  • 15. The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations.
    Kozlowski PM, Kumar M, Piecuch P, Li W, Bauman NP, Hansen JA, Lodowski P, Jaworska M.
    J Chem Theory Comput; 2012 Jun 12; 8(6):1870-94. PubMed ID: 26593822
    [Abstract] [Full Text] [Related]

  • 16. Spectroscopic and computational studies of Co3+-corrinoids: spectral and electronic properties of the B12 cofactors and biologically relevant precursors.
    Stich TA, Brooks AJ, Buan NR, Brunold TC.
    J Am Chem Soc; 2003 May 14; 125(19):5897-914. PubMed ID: 12733931
    [Abstract] [Full Text] [Related]

  • 17. How does the mutation in the cap domain of methylcobalamin-dependent methionine synthase influence the photoactivation of the Co-C bond?
    Ghosh AP, Mamun AA, Kozlowski PM.
    Phys Chem Chem Phys; 2019 Sep 25; 21(37):20628-20640. PubMed ID: 31495862
    [Abstract] [Full Text] [Related]

  • 18. NO binding to cobalamin: influence of the metal oxidation state.
    Selçuki C, van Eldik R, Clark T.
    Inorg Chem; 2004 May 03; 43(9):2828-33. PubMed ID: 15106969
    [Abstract] [Full Text] [Related]

  • 19. Comparison of the chemical properties of iron and cobalt porphyrins and corrins.
    Jensen KP, Ryde U.
    Chembiochem; 2003 May 09; 4(5):413-24. PubMed ID: 12740813
    [Abstract] [Full Text] [Related]

  • 20. Structure-energy relations in methylcobalamin with and without bound axial base.
    Rovira C, Biarnés X, Kunc K.
    Inorg Chem; 2004 Oct 18; 43(21):6628-32. PubMed ID: 15476360
    [Abstract] [Full Text] [Related]

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