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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<sup>ISQ</sup>)<sub>2</sub>] (L<sup>ISQ</sup>=3,5-di-<i>tert</i>-butyl-<i>o</i>-diiminobenzosemiquinonate(1-))
Diran Herebıan, Karl Wieghardt, Frank Neese (2003). 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<sup>ISQ</sup>)<sub>2</sub>] (L<sup>ISQ</sup>=3,5-di-<i>tert</i>-butyl-<i>o</i>-diiminobenzosemiquinonate(1-)). Journal of the American Chemical Society, 125(36), pp. 10997-11005, DOI: 10.1021/ja030124m.
Article169 days agoMolecular and Electronic Structures of Bis-(<i>o</i>-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal−Metal Bonds
Diran Herebıan, E. Bothe, Frank Neese, Thomas Weyhermüller, Karl Wieghardt (2003). Molecular and Electronic Structures of Bis-(<i>o</i>-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal−Metal Bonds. Journal of the American Chemical Society, 125(30), pp. 9116-9128, DOI: 10.1021/ja030123u.
Article169 days agoMolecular and Electronic Structure of Four‐ and Five‐Coordinate Cobalt Complexes Containing Two <i>o</i>‐Phenylenediamine‐ or Two <i>o</i>‐Aminophenol‐Type Ligands at Various Oxidation Levels: An Experimental, Density Functional, and Correlated ab initio Study
Eckhard Bill, E. Bothe, Phalguni Chaudhuri, K. Chłopek, Diran Herebıan, S.L. Kokatam, Kallol Ray, Thomas Weyhermüller, Frank Neese, Karl Wieghardt (2004). Molecular and Electronic Structure of Four‐ and Five‐Coordinate Cobalt Complexes Containing Two <i>o</i>‐Phenylenediamine‐ or Two <i>o</i>‐Aminophenol‐Type Ligands at Various Oxidation Levels: An Experimental, Density Functional, and Correlated ab initio Study. Chemistry - A European Journal, 11(1), pp. 204-224, DOI: 10.1002/chem.200400850.
Article169 days agoCCDC 243843: Experimental Crystal Structure Determination
E. Bill, E. Bothe, Pinaki Chaudhuri, K. Chłopek, Diran Herebıan, S. Kokatam, Kallol Ray, Thomas Weyhermüller, Frank Neese, Karl WieghardtCCDC 243843: Experimental Crystal Structure Determination. , DOI: https://doi.org/10.5517/cc85qx1.
Dataset49 days agoCCDC 218631: Experimental Crystal Structure Determination
Diran Herebıan, E. Bothe, Frank Neese, Thomas Weyhermüller, Karl WieghardtCCDC 218631: Experimental Crystal Structure Determination. , DOI: https://doi.org/10.5517/cc7bhmn.
Dataset49 days ago