Structure of Isolated Molybdenum(VI) and Molybdenum(IV) Oxide Species on Silica: Periodic and Cluster DFT Studies - Handzlik, Jarosław; Ogonowski, Jan (Journal of physical chemistry. C, 2012)
Keywords: Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Inorganic compounds; Physics; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Local structure; Vibrational modes; Density functional method; Atomic structure; Cluster model; Molybdenum; Silica; Optimization