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