Leipzig, B. K., J. A. Rees, J. K. Kowalska, R. M. Theisen, M. Kavcic, P. C. Y. Poon, W. Kaminsky, S. DeBeer, E. Bill and J. A. Kovacs: How Do Ring Size and π-Donating Thiolate Ligands Affect Redox-Active, α-Imino-N-heterocycle Ligand Activation?. In: Inorganic Chemistry 57, 4, 1935-1949 (2018).
doi: http://dx.doi.org/10.1021/acs.inorgchem.7b02748
Maganas, D., S. DeBeer and F. Neese: Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems. In: Journal of Physical Chemistry A 122, 5, 1215-1227 (2018).
doi: 10.1021/acs.jpca.7b10880
DeBeer, S.: Advanced X-ray Spectroscopic Methods for Studying Iron-Sulfur-Containing Proteins and Model Complexes. In: Methods Enzymol. Fe-S Cluster Enzymes Part B. Methods in Enzymology. Elsevier, accepted (2018) 427-450.
doi: 10.1016/bs.mie.2017.09.008
Chantzis, A., J. Kowalska, D. Maganas, S. DeBeer and F. Neese: Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals. In: Journal of Chemical Theory and Computation 14, 7, 3686-3702 (2018).
doi: 10.1021/acs.jctc.8b00249
DeBeer, S.: Advanced X-ray Spectroscopic Methods for Studying Iron-Sulfur-Containing Proteins and Model Complexes. In: Methods in Enzymology 599, 427-450 (2018).
doi: 10.1016/bs.mie.2017.09.008
Hahn, A., B. E. Van Kuiken, V. G. Chilkuri, N. Levin, E. Bill, T. Weyhermüller, A. Nicolaou, J. Miyawaki, Y. Harada and S. DeBeer: Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-ray Scattering (RIXS). In: Inorganic Chemistry 57, 15, 9515-9530 (2018).
doi: 10.1021/acs.inorgchem.8b01550
Rodriguez-Macia, P., E. J. Reijerse, M. van Gastel, S. DeBeer, W. Lubitz, O. Rüdiger and J. Birrell: Sulfide Protects [FeFe] Hydrogenases From O-2. In: Journal of the American Chemical Society 140, 30, 9346-9350 (2018).
doi: 10.1021/jacs.8b04339
Van Kuiken, B., A. Hahn, B. Nayyar, C. Schiewer, S. C. Lee, F. Meyer, T. Weyhermüller, A. Nicolaou, Y.-T. Cui, J. Miyawaki, Y. Harada and S. DeBeer: Electronic Spectra of Iron-Sulfur Complexes Measured by 2p3d RIXS Spectroscopy. In: Inorganic Chemistry 57, 12, 7355-7361 (2018).
doi: 10.1021/acs.inorgchem.8b01010
Van Stappen, C., D. Maganas, S. DeBeer, E. Bill and F. Neese: Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes. In: Inorganic Chemistry 57, 11, 6421-6438 (2018).
doi: 10.1021/acs.inorgchem.8b00486
Cutsail, G. E., R. Banerjee, A. Zhou, L. J. Que, J. D. Lipscomb and S. DeBeer: High-Resolution Extended X-ray Absorption Fine Structure Analysis Provides Evidence for a Longer Fe···Fe Distance in the Q Intermediate of Methane Monooxygenase.. In: Journal of the American Chemical Society ?, ?-? (2018).
doi: 10.1021/jacs.8b10313
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