2 papers
physics.chem-ph2011
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…
cond-mat.mtrl-sci2001
Hindered rotation of H2 adsorbed interstitially in nanotube bundles
M. K. Kostov, H. Cheng, R. M. Herman +2
A theoretical study on the rotational dynamics of H2 molecules trapped in the interstitial channels (ICs) of a carbon nanotube bundle is presented. The potential used in this study…