... Computational Study of the Anion Photoelectron Spectra of FeXn (X = O, S and n = 3, 4) Clusters Van Tan Tran Jury: Dissertation presented in partial Prof Dr Arnout Ceulemans, chair fulfilment ... for understanding their properties On the other hand, the smaller sized transition metal-containing compounds in the gas phase such as MCn /0 , MOn /0 and MSn /0 , which contain one transition metal ... insight into the electronic structure and for the assignment of the anion photoelectron spectra can be seen in the specific cases of the ScCn /0 (n = 2, 3) [34], FeCn /0 (n = 2, 3) [35], and FeSn /0...