Publications of Eckhard Bill
All genres
Journal Article (59)
2015
Journal Article
54 (20), pp. 9948 - 9961 (2015)
Magneto-Structural Correlations in a Series of Pseudotetrahedral [CoII(XR)4]2– Single Molecule Magnets: An ab Initio Ligand Field Study. Inorganic Chemistry
Journal Article
137 (33), pp. 10689 - 10699 (2015)
Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex. Journal of the American Chemical Society
Journal Article
6 (5), pp. 2909 - 2921 (2015)
Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes. Chemical Science
Journal Article
289-290, pp. 177 - 214 (2015)
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets. Coordination Chemistry Reviews
Journal Article
51 (11), pp. 2099 - 2102 (2015)
Mössbauer and computational investigation of a functional [NiFe] hydrogenase model complex. Chemical Communications 2014
Journal Article
53 (21), pp. 11388 - 11395 (2014)
A Well-Defined Terminal Vanadium(III) Oxo Complex. Inorganic Chemistry
Journal Article
53 (33), pp. 8727 - 8731 (2014)
Decay of Iron(V) Nitride Complexes By a N-N Bond‐Coupling Reaction in Solution: A Combined Spectroscopic and Theoretical Analysis. Angewandte Chemie International Edition
Journal Article
5 (8), pp. 3096 - 3103 (2014)
Identification of a spin-coupled Mo(III) in the nitrogenase iron–molybdenum cofactor. Chemical Science
Journal Article
20 (6), pp. 1602 - 1614 (2014)
New Insights into the Nature of Observable Reaction Intermediates in Cytochrome P450 NO Reductase by Using a Combination of Spectroscopy and Quantum Mechanics/Molecular Mechanics Calculations. Chemistry – A European Journal 2013
Journal Article
110 (28), E2539 (2013)
Reply to Mouesca et al.: Electronic structure of the proximal [4Fe-3S] cluster of O2-tolerant [NiFe] hydrogenases. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
110 (2), pp. 483 - 488 (2013)
Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mössbauer and EPR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 2012
Journal Article
134 (51), pp. 20745 - 20755 (2012)
A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation. Journal of the American Chemical Society
Journal Article
134 (50), pp. 20352 - 20364 (2012)
Reversible C–C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes. Journal of the American Chemical Society
Journal Article
134 (48), pp. 19746 - 19757 (2012)
Azurin as a Protein Scaffold for a Low-coordinate Nonheme Iron Site with a Small-molecule Binding Pocket. Journal of the American Chemical Society 2010
Journal Article
49 (20), pp. 9450 - 9459 (2010)
Spectroscopic and Computational Studies of an End-on Bound Superoxo-Cu(II) Complex: Geometric and Electronic Factors That Determine the Ground State. Inorganic Chemistry 2009
Journal Article
253 (19-20), pp. 2352 - 2362 (2009)
Magnetic circular dichroism spectroscopy of weakly exchange coupled transition metal dimers: A model study. Coordination Chemistry Reviews
Journal Article
48 (11), pp. 4828 - 4836 (2009)
Iron(II) Complexes with Redox-Active Tetrazene (RNNNNR) Ligands. Inorganic Chemistry
Journal Article
15 (13), pp. 3152 - 3167 (2009)
EPR Spectroscopy of a Family of CrIII7MII (M = Cd, Zn, Mn, Ni) “Wheels”: Studies of Isostructural Compounds with Different Spin Ground States. Chemistry – A European Journal 2008
Journal Article
14 (34), pp. 10839 - 10851 (2008)
The Electronic Structure of Iron Corroles: A Combined Experimental and Quantum Chemical Study. Chemistry – A European Journal 2007
Journal Article
129 (36), pp. 11053 - 11060 (2007)
Characterization of a Genuine Iron(V)−Nitrido Species by Nuclear Resonant Vibrational Spectroscopy Coupled to Density Functional Calculations. Journal of the American Chemical Society