Photodesorption Mechanism of Water on WO3(001) - A Combined Embedded Cluster, Computational Intelligence and Wave Packet Approach

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/D0CP02809F, PaperThomas Teusch, Thorsten Kl üner In this work we investigate the mechanism of photodesorption of water from a WO3(001) surface by theoretical calculations, applying an embedded cluster model. Using the CASSCF method, we have calculated... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - August 17, 2020 Category: Chemistry Authors: Thomas Teusch Source Type: research