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Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems
Authors: Kubas, Adam; Verkamp, Max; Vura-Weis, Josh; Neese, Frank; Maganas, Dimitrios
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Chemical Theory and Computation
Volume: 14
Issue / Number: 8
Start Page: 4320
End Page: 4334
Document Type: Article
ID: 743367.0
Surface Adsorption Energetics Studied with "Gold Standard" Wave Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
Authors: Kubas, Adam; Berger, Daniel; Oberhofer, Harald; Maganas, Dimitrios; Reuter, Karsten; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Physical Chemistry Letters
Volume: 7
Issue / Number: 20
Start Page: 4207
End Page: 4212
Document Type: Article
ID: 722712.0
Entries: 1-2  
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