We report a theoretical study on the electronic structures of O2 chemisorbed on a(8,0) SWNT with different oxygen contents of 6.25,12.5 and 25%,respectively.On
The insertion reaction mechanism of CF2 with CH2O was investigated at the B3LYP/6-311G(d)//MP2/6-311G(d) level. The geometric conformations at each stationary p
Two molybdophosphate compounds,[Ni(bim)3]2[H2P2Mo5O23]·2H2O 1 and [Zn(bpy)2]2[Zn(bpy)(H2O)]2Zn[Mo6O12(OH)3(HPO4)4]2·9H2O 2 (bim = 2,2'-biimidazole