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

Titel:: Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
Autor(en):: Kubas, Adam; Berger, Daniel; Oberhofer, Harald; Maganas, Dimitrios; Reuter, Karsten; Neese, Frank
Zeitschriftentitel:: The Journal of Physical Chemistry Letters
Jahr:: 2016
Band / Volume:: 7
Heft / Issue:: 20
Seitenangaben Beitrag:: 4207-4212
Volltext / DOI:: doi:10.1021/acs.jpclett.6b01845
Verlag / Institution:: American Chemical Society (ACS)
E-ISSN:: 1948-7185
Publikationsdatum:: 20.10.2016
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