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The last 5 uploaded publications
Joint spectroscopic and theoretical investigations of transition metal complexes involving non-innocent ligands
Kallol Ray, Taras Petrenko, Karl Wieghardt, Frank Neese (2007). Joint spectroscopic and theoretical investigations of transition metal complexes involving non-innocent ligands. Dalton Transactions, pp. 1552-1552, DOI: 10.1039/b700096k.
Article293 days agoElectronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)<sub>2</sub>]<i><sup>z</sup></i> (<i>z</i> = 2−, 1−, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study
Kallol Ray, Thomas Weyhermüller, Frank Neese, Karl Wieghardt (2005). Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)<sub>2</sub>]<i><sup>z</sup></i> (<i>z</i> = 2−, 1−, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study. Inorganic Chemistry, 44(15), pp. 5345-5360, DOI: 10.1021/ic0507565.
Article288 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.
Article288 days agoDescription of the Ground‐State Covalencies of the Bis(dithiolato) Transition‐Metal Complexes from X‐ray Absorption Spectroscopy and Time‐Dependent Density‐Functional Calculations
Kallol Ray, Serena DeBeer, Edward I. Solomon, Karl Wieghardt, Frank Neese (2007). Description of the Ground‐State Covalencies of the Bis(dithiolato) Transition‐Metal Complexes from X‐ray Absorption Spectroscopy and Time‐Dependent Density‐Functional Calculations. Chemistry - A European Journal, 13(10), pp. 2783-2797, DOI: 10.1002/chem.200601425.
Article288 days agoThe Electronic Structure of the Isoelectronic, Square-Planar Complexes [Fe<sup>II</sup>(L)<sub>2</sub>]<sup>2</sup><sup>-</sup>and [Co<sup>III</sup>(L<sup>Bu</sup>)<sub>2</sub>]<sup>-</sup>(L<sup>2</sup><sup>-</sup>and (L<sup>Bu</sup>)<sup>2</sup><sup>-</sup>= Benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study
Kallol Ray, Ameerunisha Begum, Thomas Weyhermüller, Stergios Piligkos, Joris van Slageren, Frank Neese, Karl Wieghardt (2005). The Electronic Structure of the Isoelectronic, Square-Planar Complexes [Fe<sup>II</sup>(L)<sub>2</sub>]<sup>2</sup><sup>-</sup>and [Co<sup>III</sup>(L<sup>Bu</sup>)<sub>2</sub>]<sup>-</sup>(L<sup>2</sup><sup>-</sup>and (L<sup>Bu</sup>)<sup>2</sup><sup>-</sup>= Benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study. Journal of the American Chemical Society, 127(12), pp. 4403-4415, DOI: 10.1021/ja042803i.
Article288 days ago