Density functional study of PdaCubAuc (a + b + c = 7) clusters: Geometry, electronic and H2 physisorption properties

Publication date: 15 May 2020Source: Computational and Theoretical Chemistry, Volume 1178Author(s): Shuang Zhao, Zhe Zhao, Kaisheng Yao, Hui Liu

Source: Computational and Theoretical Chemistry - March 18, 2020 Category: Chemistry Source Type: research