| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9591657 | Journal of Molecular Structure: THEOCHEM | 2005 | 4 Pages |
Abstract
Certain endohedrally Se and hydrogen doped C60 systems, (Se+nH2)@C60 have been quantum chemically investigated by using PM3 method at the level of RHF approach. The composite structures are found to be stable but endothermic in nature. The Se@C60 system is found to be unable to accommodate more than nine hydrogen molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Lemi Türker,