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367 related items for PubMed ID: 12952481

  • 1. Analysis and interpretation of metal-radical coupling in a series of square planar nickel complexes: correlated Ab initio and density functional investigation of [Ni(L(ISQ))(2)] (L(ISQ)=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)).
    Herebian D, Wieghardt KE, Neese F.
    J Am Chem Soc; 2003 Sep 10; 125(36):10997-1005. PubMed ID: 12952481
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  • 2. Electronic structure of square planar bis(benzene-1,2-dithiolato)metal complexes [M(L)(2)](z) (z = 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): an experimental, density functional, and correlated ab initio study.
    Ray K, Weyhermüller T, Neese F, Wieghardt K.
    Inorg Chem; 2005 Jul 25; 44(15):5345-60. PubMed ID: 16022533
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  • 3. Molecular and electronic structure of four- and five-coordinate cobalt complexes containing two o-phenylenediamine- or two o-aminophenol-type ligands at various oxidation levels: an experimental, density functional, and correlated ab initio study.
    Bill E, Bothe E, Chaudhuri P, Chlopek K, Herebian D, Kokatam S, Ray K, Weyhermüller T, Neese F, Wieghardt K.
    Chemistry; 2004 Dec 17; 11(1):204-24. PubMed ID: 15549762
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  • 5. Molecular and electronic structures of tetrahedral complexes of nickel and cobalt containing N,N'-disubstituted, bulky o-diiminobenzosemiquinonate(1-) pi-radical ligands.
    Chłopek K, Bothe E, Neese F, Weyhermüller T, Wieghardt K.
    Inorg Chem; 2006 Aug 07; 45(16):6298-307. PubMed ID: 16878939
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  • 7. Molecular and electronic structure of square-planar nickel II, nickel III and nickel III pi-cation radical complexes with a tetradentate o-phenylenedioxamidate redox-active ligand.
    Carrasco R, Cano J, Ottenwaelder X, Aukauloo A, Journaux Y, Ruiz-García R.
    Dalton Trans; 2005 Aug 07; (15):2527-38. PubMed ID: 16025172
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  • 8. Vibrational markers for the open-shell character of transition metal bis-dithiolenes: an infrared, resonance raman, and quantum chemical study.
    Petrenko T, Ray K, Wieghardt KE, Neese F.
    J Am Chem Soc; 2006 Apr 05; 128(13):4422-36. PubMed ID: 16569020
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  • 9. Toward verdazyl radical-based materials: ab initio inspection of potential organic candidates for spin-crossover phenomenon.
    Rota JB, Le Guennic B, Robert V.
    Inorg Chem; 2010 Feb 01; 49(3):1230-7. PubMed ID: 20050597
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  • 16. Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.
    Ray K, Debeer George S, Solomon EI, Wieghardt K, Neese F.
    Chemistry; 2007 Feb 01; 13(10):2783-97. PubMed ID: 17290468
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  • 18. Harnessing redox-active ligands for low-barrier radical addition at oxorhenium complexes.
    Lippert CA, Hardcastle KI, Soper JD.
    Inorg Chem; 2011 Oct 17; 50(20):9864-78. PubMed ID: 21744815
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