2 citations · 2 across the 1 of their papers we have counts for
3 papers
Limits of stability for compounds of pentavalent praseodymium
Piotr G. Szkudlarek, Paweł Szarek, Wojciech Grochala
Eleven possible candidates for compounds of pentavalent praseodymium were investigated with relativistic density functional theory using the B3LYP functional with ZORA scalar relat…
Electronic stress tensor analysis of hydrogenated palladium clusters
Kazuhide Ichikawa, Ayumu Wagatsuma, Pawel Szarek +3
We study the chemical bonds of small palladium clusters Pd_n (n=2-9) saturated by hydrogen atoms using electronic stress tensor. Our calculation includes bond orders which are rece…
Theoretical Study of Hydrogenated Tetrahedral Aluminum Clusters
Kazuhide Ichikawa, Yuji Ikeda, Ayumu Wagatsuma +3
We report on the structures of aluminum hydrides derived from a tetrahedral aluminum Al4 cluster using ab initio quantum chemical calculation. Our calculation of binding energies o…