| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389928 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
Theoretical calculations based on AM1, DFT and ONIOM methods have shown that preferential reactivity to cycloadditions at the conical-end of carbon nanohorns occurs. The unbalanced functionalization of carbon nanohorns is justified in terms of accumulated strain near the conical-end of carbon nanohorns as compared to sites extending from the tip.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ioannis D. Petsalakis, Georgia Pagona, Giannoula Theodorakopoulos, Nikos Tagmatarchis, Masako Yudasaka, Sumio Iijima,