C68 fullerene isomers, anions, and their metallofullerenes: charge-stabilizing different isomers.

@article{Chen2008C68FI,
  title={C68 fullerene isomers, anions, and their metallofullerenes: charge-stabilizing different isomers.},
  author={De-Li Chen and Wei Quan Tian and Ji-Kang Feng and Chia-Chung Sun},
  journal={Chemphyschem : a European journal of chemical physics and physical chemistry},
  year={2008},
  volume={9 3},
  pages={454-61}
}
The complete set of 6332 classical isomers of the fullerene C(68) as well as several non-classical isomers is investigated by PM3, and the data for some of the more stable isomers are refined by the DFT-based methods HCTH and B3LYP. C(2):0112 possesses the lowest energy of all the neutral isomers and it prevails in a wide range of temperatures. Among the… CONTINUE READING