Quantum-Chemical Studies of Metal Oxides for Photoelectrochemical Applications
A review of recent research, as well as new results, are presented on transition metal oxide clusters, surfaces, and crystals. Quantum-chem. calcns. of clusters of first row transition metal oxides have been made to evaluate the accuracy of ab initio and d. functional calcns. Adsorbates on metal oxide surfaces have been studied with both ab initio and semi-empirical methods, and results are presen
