Publications of Eckhard Bill
All genres
Journal Article (59)
2015
Journal Article
Suturina, E. A.; Maganas, D.; Bill, E.; Atanasov, M.; Neese, F. Magneto-Structural Correlations in a Series of Pseudotetrahedral [CoII(XR)4]2– Single Molecule Magnets: An Ab Initio Ligand Field Study. Inorganic Chemistry 2015, 54, 9948–9961.
Journal Article
Suturina, E.; Pathak, S.; Atanasov, M.; Bill, E.; ; ; Neese, F.; Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex. Journal of the American Chemical Society 2015, 137, 10689–10699.
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Journal Article
Ye, S.; ; Krivokapic, I.; Petrenko, T.; Bill, E.; ; Neese, F. Magnetic Circular Dichroism and Computational Study of Mononuclear and Dinuclear Iron(IV) Complexes. Chemical Science 2015, 6, 2909–2921.
Journal Article
Atanasov, M.; Aravena, D.; Suturina, E.; Bill, E.; Maganas, D.; Neese, F. First Principles Approach to the Electronic Structure, Magnetic Anisotropy and Spin Relaxation in Mononuclear 3d-Transition Metal Single Molecule Magnets. Coordination Chemistry Reviews 2015, 289-290, 177–214.
Journal Article
Kochem, A.; Bill, E.; Neese, F.; van Gastel, M. Mössbauer and Computational Investigation of a Functional [NiFe] Hydrogenase Model Complex. Chemical Communications 2015, 51, 2099–2102.
2014
Journal Article
Atanasov, M.; ; ; Bill, E.; Neese, F.; ; A Well-Defined Terminal Vanadium(III) Oxo Complex. Inorganic Chemistry 2014, 53, 11388–11395.
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Journal Article
Bjornsson, R.; Lima, F. A.; ; Weyhermüller, T.; ; Bill, E.; ; Neese, F.; DeBeer, S. Identification of a Spin-Coupled Mo(III) in the Nitrogenase Iron–Molybdenum Cofactor. Chemical Science 2014, 5, 3096–3103.
Journal Article
Riplinger, C.; Bill, E.; ; ; ; Neese, F. 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 2014, 20, 1602–1614.
2013
Journal Article
Pandelia, M.-E.; Bykov, D.; Izsak, R.; ; ; Bill, E.; Neese, F.; Lubitz, W. 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 2013, 110, E2539.
Journal Article
Pandelia, M.-E.; Bykov, D.; Izsak, R.; ; ; Bill, E.; Neese, F.; Lubitz, W. 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 2013, 110, 483–488.
2012
Journal Article
Weber, K.; Krämer, T.; Shafaat, H. S.; Weyhermüller, T.; Bill, E.; van Gastel, M.; Neese, F.; Lubitz, W. A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation. Journal of the American Chemical Society 2012, 134, 20745–20755.
Journal Article
Retegan, M.; Bill, E.; ; Shafaat, H. S.; ; ; ; ; Neese, F.; Azurin as a Protein Scaffold for a Low-Coordinate Nonheme Iron Site with a Small-Molecule Binding Pocket. Journal of the American Chemical Society 2012, 134, 19746–19757.
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2009
Journal Article
Piligkos, S.; Slep, L. D.; Weyhermüller, T.; Chaudhuri, P.; Bill, E.; Neese, F. Magnetic Circular Dichroism Spectroscopy of Weakly Exchange Coupled Transition Metal Dimers: A Model Study. Coordination Chemistry Reviews 2009, 253, 2352–2362.
Journal Article
Piligkos, S.; ; Bill, E.; Neese, F.; ; ; ; ; ; ; 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 2009, 15, 3152–3167.
2008
Journal Article
Ye, S.; Tuttle, T.; Bill, E.; ; ; Thiel, W.; Neese, F. The Electronic Structure of Iron Corroles: A Combined Experimental and Quantum Chemical Study. Chemistry – A European Journal 2008, 14, 10839–10851.
2007
Journal Article
Aliaga-Alcade, N.; Bill, E.; Mienert, B.; ; ; ; ; Wieghardt, K.; Neese, F. Characterization of a Genuine Iron(V)−Nitrido Species by Nuclear Resonant Vibrational Spectroscopy Coupled to Density Functional Calculations. Journal of the American Chemical Society 2007, 129, 11053–11060.
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