Pocket and antipocket conformations for the CH4@C84 endohedral fullerene
- 作者Abdul Rehaman; Laura Gagliardi; Pekka Pyykkö
- 卷第107卷
- 期第5期
- 印刷ISSN0020-7608
- 电子ISSN1097-461X
- 文件大小155.27KB
- 发表时间2007
- DOI10.1002/qua.21230
- 页码1162-1169
同作者推荐
CASCI-DFT study of the phenalenyl radical systemT. Ukai; K. Nakata; S. Yamanaka; T. Kubo; Y. Morita; T. Takada; K. Yamaguchi · 2007
Resonating broken symmetry CI approach for ion-radical systems: Comparison with UHF, hybrid-DFT, and CASSCF-DFTS. Nishihara; S. Yamanaka; T. Ukai; K. Nakata; K. Kusakabe; Y. Yonezawa; H. Nakamura; T. Takada; K. Yamaguchi · 2008