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Theoretical investigation of the formation mechanism of metallofullerene Y@C82
- Source :
- Journal of Physical Chemistry A. May 5, 2005, Vol. 109 Issue 17, p3980, 3 p.
- Publication Year :
- 2005
-
Abstract
- An investigation of the formation mechanism of metallofullerene presented by ab initio calculations with two theoretical models. Both energetic calculations and frequency analyses exclude the 'fullerene-road' mechanism and support the C76 + C6Y growing mechanism, indicating that the involvement of metal atoms would affect the fullerene formation process seriously.
- Subjects :
- Metallocenes -- Chemical properties
Chemicals, plastics and rubber industries
Subjects
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 109
- Issue :
- 17
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.133150442