| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5388626 | Chemical Physics Letters | 2007 | 6 Pages |
Abstract
Reactivity indicators are used to describe hydrogen abstractions at PAHs by a methyl radical. The global results are in good agreement with experiment and the local softness is successful.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
K. Hemelsoet, V. Van Speybroeck, M. Waroquier,