Two new coordination polymers,[Co(BYBA)2(4,4'-bpy)(H2O)2]·H2O (1) and [Zn(BYBA)2(4,4'-bpy)] (2) (4,4'-bpy=4,4'-bipyridine,BYBAH= 2-benzoylb
<正>The adsorption of NO on the M/c-ZrO_2(110)(M=Ru,Rh)surface has been studied with periodic slab model by PW91 approach of GGA within the framework of density
The density functional theory(DFT) and self-consistent periodic calculation were used to investigate the methanol adsorption on the Pt-Mo(111)/C surface.The ads