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Journal Abstract Search

765 related items for PubMed ID: 17408258

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  • 2. Computational studies of EPR parameters for paramagnetic molybdenum complexes. II. Larger MoV systems relevant to molybdenum enzymes.
    Fritscher J, Hrobárik P, Kaupp M.
    Inorg Chem; 2007 Oct 01; 46(20):8146-61. PubMed ID: 17725345
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  • 7. Performance of nonrelativistic and quasi-relativistic hybrid DFT for the prediction of electric and magnetic hyperfine parameters in 57Fe Mössbauer spectra.
    Sinnecker S, Slep LD, Bill E, Neese F.
    Inorg Chem; 2005 Apr 04; 44(7):2245-54. PubMed ID: 15792459
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  • 10. A density functional study of the electronic structure and spin Hamiltonian parameters of mononuclear thiomolybdenyl complexes.
    Drew SC, Young CG, Hanson GR.
    Inorg Chem; 2007 Apr 02; 46(7):2388-97. PubMed ID: 17305330
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  • 11. Pulsed EPR and NMR spectroscopy of paramagnetic iron porphyrinates and related iron macrocycles: how to understand patterns of spin delocalization and recognize macrocycle radicals.
    Walker FA.
    Inorg Chem; 2003 Jul 28; 42(15):4526-44. PubMed ID: 12870942
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  • 15. DFT calculations of magnetic parameters for molybdenum complexes and hydroxymethyl intermediates trapped on silica surface.
    Sojka Z, Pietrzyk P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Mar 13; 63(4):788-94. PubMed ID: 16488660
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  • 16. Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: application to a MnIII/MnIV model compound.
    Sinnecker S, Neese F, Noodleman L, Lubitz W.
    J Am Chem Soc; 2004 Mar 03; 126(8):2613-22. PubMed ID: 14982471
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  • 18. Density-functional calculations of relativistic spin-orbit effects on nuclear magnetic shielding in paramagnetic molecules.
    Pennanen TO, Vaara J.
    J Chem Phys; 2005 Nov 01; 123(17):174102. PubMed ID: 16375512
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