Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO<sub>2</sub>(110)
Adam Kubas, Daniel Berger, Harald Oberhofer, Dimitrios Maganas, Karsten Reuter, Frank Neese (2016). Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO<sub>2</sub>(110). The Journal of Physical Chemistry Letters, 7(20), pp. 4207-4212, DOI: 10.1021/acs.jpclett.6b01845.
