Nasluzov, V. A.; Parker, Shane M.; Genest, A.; Shor, A. M.; Ivanova-Shor, E. A.; Roesch, Notker
Titel:
Trinuclear tantalum clusters grafted to hydroxylated silica surfaces: A density-functional embedded-cluster study
Abstract:
To identify the coordination modes of bare and hydrogenated trinuclear tantalum species on hydroxylated silica, we computationally examined models of Ta3H (n) (