Author/Authors :
Pan، نويسنده , , X.M. and Fu، نويسنده , , Z. and Hong، نويسنده , , B. and Zhao، نويسنده , , L. and Qiu، نويسنده , , Y.Q. and Su، نويسنده , , Z.M. and Wang، نويسنده , , R.S.، نويسنده ,
Abstract :
Possible structures of C60Bn and C60Bnn+ (n = 1–4) endohedral and exohedral fullerene complexes have been calculated using semiempirical AMI and DFT/B3LYP methods at the level 6–31 G in order to determine the most stable structures, to investigate the und
Keywords :
DFT/B3LYP method , Fullerene complexes , B endohedral and exohedral fullerene , electronic properties
