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Details for article 45 of 71 found articles
| Title: |
Oxygen Effect on Magnetic Properties of Fullerenes |
| Author: |
Kvyatkovskii, O. E. Zakharova, I. B. |
| Appeared in: |
Fullerenes, nanotubes & carbon nanostructures |
| Paging: | Volume 16 (2008) nr. 5-6 pages 574-578 |
| Year: |
2008-09 |
| Contents: |
The role of oxygen in formation of magnetic properties of photolyzed fullerene is considered on the basis of ab initio calculations of oxygen energetics in fullerene matrix. A possibility of a formation of magnetically active species in oxygenated C60 and a polymerization of the fullerene matrix due to mono-oxidation is considered. The optimized geometry and electronic structure of C60O isomers and C60-O-C60 oligomers in singlet and triplet spin states are calculated using DFT/B3LYP method. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 45 of 71 found articles
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