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Journal Abstract Search

292 related items for PubMed ID: 16117545

  • 1. Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials.
    Dey A, Okamura TA, Ueyama N, Hedman B, Hodgson KO, Solomon EI.
    J Am Chem Soc; 2005 Aug 31; 127(34):12046-53. PubMed ID: 16117545
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  • 2. Ligand K-edge X-ray absorption spectroscopy and DFT calculations on [Fe3S4]0,+ clusters: delocalization, redox, and effect of the protein environment.
    Dey A, Glaser T, Moura JJ, Holm RH, Hedman B, Hodgson KO, Solomon EI.
    J Am Chem Soc; 2004 Dec 29; 126(51):16868-78. PubMed ID: 15612726
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  • 3. Sulfur K-edge XAS and DFT calculations on [Fe4S4]2+ clusters: effects of H-bonding and structural distortion on covalency and spin topology.
    Dey A, Roche CL, Walters MA, Hodgson KO, Hedman B, Solomon EI.
    Inorg Chem; 2005 Nov 14; 44(23):8349-54. PubMed ID: 16270973
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  • 4. Sulfur K-edge X-ray absorption spectroscopy of 2Fe-2S ferredoxin: covalency of the oxidized and reduced 2Fe forms and comparison to model complexes.
    Anxolabéhère-Mallart E, Glaser T, Frank P, Aliverti A, Zanetti G, Hedman B, Hodgson KO, Solomon EI.
    J Am Chem Soc; 2001 Jun 13; 123(23):5444-52. PubMed ID: 11389625
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  • 5. Spin-Polarization-Induced Preedge Transitions in the Sulfur K-Edge XAS Spectra of Open-Shell Transition-Metal Sulfates: Spectroscopic Validation of σ-Bond Electron Transfer.
    Frank P, Szilagyi RK, Gramlich V, Hsu HF, Hedman B, Hodgson KO.
    Inorg Chem; 2017 Feb 06; 56(3):1080-1093. PubMed ID: 28068071
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  • 6. Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on superoxide reductase: role of the axial thiolate in reactivity.
    Dey A, Jenney FE, Adams MW, Johnson MK, Hodgson KO, Hedman B, Solomon EI.
    J Am Chem Soc; 2007 Oct 17; 129(41):12418-31. PubMed ID: 17887751
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  • 8. Ligand K-edge X-ray absorption spectroscopy of [Fe4S4]1+,2+,3+ clusters: changes in bonding and electronic relaxation upon redox.
    Dey A, Glaser T, Couture MM, Eltis LD, Holm RH, Hedman B, Hodgson KO, Solomon EI.
    J Am Chem Soc; 2004 Jul 07; 126(26):8320-8. PubMed ID: 15225075
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  • 9. S K-edge X-ray absorption studies of tetranuclear iron-sulfur clusters: mu-sulfide bonding and its contribution to electron delocalization.
    Glaser T, Rose K, Shadle SE, Hedman B, Hodgson KO, Solomon EI.
    J Am Chem Soc; 2001 Jan 24; 123(3):442-54. PubMed ID: 11456546
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  • 11. Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clusters.
    Harris TV, Szilagyi RK.
    J Comput Chem; 2014 Mar 15; 35(7):540-52. PubMed ID: 24458434
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  • 12. Direct measurement of the hydrogen-bonding effect on the intrinsic redox potentials of [4Fe-4S] cubane complexes.
    Yang X, Niu S, Ichiye T, Wang LS.
    J Am Chem Soc; 2004 Dec 08; 126(48):15790-4. PubMed ID: 15571403
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  • 17. Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy.
    Szilagyi RK, Lim BS, Glaser T, Holm RH, Hedman B, Hodgson KO, Solomon EI.
    J Am Chem Soc; 2003 Jul 30; 125(30):9158-69. PubMed ID: 15369373
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  • 18. Nature of the oxomolybdenum-thiolate pi-bond: implications for Mo-S bonding in sulfite oxidase and xanthine oxidase.
    McNaughton RL, Helton ME, Cosper MM, Enemark JH, Kirk ML.
    Inorg Chem; 2004 Mar 08; 43(5):1625-37. PubMed ID: 14989655
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  • 19. Sulfur K-edge spectroscopic investigation of second coordination sphere effects in oxomolybdenum-thiolates: relationship to molybdenum-cysteine covalency and electron transfer in sulfite oxidase.
    Peariso K, Helton ME, Duesler EN, Shadle SE, Kirk ML.
    Inorg Chem; 2007 Feb 19; 46(4):1259-67. PubMed ID: 17291118
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