Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)

Title:: Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
Author(s):: Kubas, Adam; Berger, Daniel; Oberhofer, Harald; Maganas, Dimitrios; Reuter, Karsten; Neese, Frank
Journal title:: The Journal of Physical Chemistry Letters
Year:: 2016
Journal volume:: 7
Journal issue:: 20
Pages contribution:: 4207-4212
Fulltext / DOI:: doi:10.1021/acs.jpclett.6b01845
Publisher:: American Chemical Society (ACS)
E-ISSN:: 1948-7185
Date of publication:: 20.10.2016
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