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The last 5 uploaded publications
Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study
Suzanne C. Bart, K. Chłopek, Eckhard Bill, M.W. Bouwkamp, Emil B. Lobkovsky, Frank Neese, Karl Wieghardt, Paul J. Chirik (2006). Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study. Journal of the American Chemical Society, 128(42), pp. 13901-13912, DOI: 10.1021/ja064557b.
Article174 days agoFirst principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets
Mihail Atanasov, Daniel Aravena, Elizaveta A. Suturina, Eckhard Bill, Dimitrios Maganas, Frank Neese (2014). First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets. Coordination Chemistry Reviews, 289-290, pp. 177-214, DOI: 10.1016/j.ccr.2014.10.015.
Article174 days agoSynthesis and isolation of a triplet bismuthinidene with a quenched magnetic response
Yue Pang, Nils Nöthling, Markus Leutzsch, Liqun Kang, Eckhard Bill, Maurice van Gastel, Edward J. Reijerse, Richard Goddard, Lucas Wagner, Daniel J. SantaLucia, Serena DeBeer, Frank Neese, Josep Cornellà (2023). Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response. Science, 380(6649), pp. 1043-1048, DOI: 10.1126/science.adg2833.
Article169 days agoAn Octahedral Coordination Complex of Iron(VI)
John F. Berry, Eckhard Bill, E. Bothe, Serena DeBeer, Bernd Mienert, Frank Neese, Karl Wieghardt (2006). An Octahedral Coordination Complex of Iron(VI). Science, 312(5782), pp. 1937-1941, DOI: 10.1126/science.1128506.
Article169 days agoPerformance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in<sup>57</sup>Fe Mössbauer Spectra
Sebastian Sinnecker, Leonardo D. Slep, Eckhard Bill, Frank Neese (2005). Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in<sup>57</sup>Fe Mössbauer Spectra. Inorganic Chemistry, 44(7), pp. 2245-2254, DOI: 10.1021/ic048609e.
Article169 days ago