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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
Authors: Chantzis, Agisilaos; Kowalska, Joanna; Maganas, Dimitrios; DeBeer, Serena; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Chemical Theory and Computation
Volume: 14
Issue / Number: 7
Start Page: 3686
End Page: 3702
Document Type: Article
ID: 743335.0
X-ray Absorption and Emission Spectroscopic Studies of [L2Fe2S2]n Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters
Authors: Kowalska, Joanna; Hahn, Anselm W.; Albers, Antonia; Schiewer, Christine E.; Bjornsson, Ragnar; Lima, Frederico A.; Meyer, Franc; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2016-05-02
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 9
Start Page: 4485
End Page: 4497
Document Type: Article
ID: 722483.0
The role of X-ray spectroscopy in understanding the geometric and electronic structure of nitrogenase
Authors: Kowalska, Joanna; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Biochimica et Biophysica Acta-Molecular Cell Research
Volume: 1853
Issue / Number: 6 Sp. Iss. SI
Start Page: 1406
End Page: 1415
Document Type: Article
ID: 712888.0
Entries: 1-3  
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