Dokumente Fakultät für Chemie (inkl. GAUSS) nach Autor "Altschäffel, Jan"
Anzeige 1-1 von 1
-
Ab initio molecular dynamics simulations of molecular scattering from metal(111) surfaces
Altschäffel, Jan (2021-08-26)In this thesis, I report on ab initio molecular dynamics (AIMD) simulations of scattering experiments of CO and NO from Au(111) and Ag(111) surfaces and provide minimum energy pathway (MEP) calculations of the dissociation ...