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Direct Imaging of Octahedral Distortion in a Complex Molybdenum Vanadium Mixed Oxide
Authors: Lunkenbein, Thomas; Girgsdies, Frank; Wernbacher, Anna; Noack, Johannes; Auffermann, Gudrun; Yasuhara, Akira; Klein-Hoffmann, Achim; Ueda, Wataru; Eichelbaum, Maik; Trunschke, Anette; Schlögl, Robert; Willinger, Marc-Georg
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Angewandte Chemie-International Edition
Volume: 54
Issue / Number: 23
Start Page: 6828
End Page: 6831
Document Type: Article
ID: 712905.0

First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches
Authors: Maganas, Dimitrios; Römelt, Michael; Hävecker, Michael; Trunschke, Anette; Knop-Gericke, Axel; Schlögl, Robert; Neese, Frank
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Physical Chemistry Chemical Physics
Volume: 15
Start Page: 7260
End Page: 7276
Document Type: Article
ID: 682087.0