Items for "Periodic"

Theoretical first step towards an understanding of the uranyl ion sorption on the rutile TiO₂(110) face: A DFT periodic and cluster study

First results of a periodic and cluster Density Functional Theory (DFT) study of the uranyl ion (UO₂²⁺) sorption onto the rutile TiO₂(110) face, based on plane wave and localised basis sets, are presented...

Keywords: Sorption, Uranyl, DFT, Rutile(110), Periodic