| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391617 | Chemical Physics Letters | 2007 | 6 Pages |
Abstract
This figure shows the potential energy profile along the minimum energy pathways for the reaction of NCOÂ +Â HNCO. Firstly, IM7 can be formed without an entrance barrier. Then the HCNÂ +Â OCNO can be formed via TS7. Only a barrier of 14.90Â kcal/mol needs to overcome for this process and the energy of TS7 is even 9.82Â kcal/mol lower than that of the reactants. Consequently, further direct dissociation of OCNO to form the product COÂ +Â NO through the direct C-N bond cleavage via TS5(4).
Related Topics
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Authors
Weichao Zhang, Benni Du, Changjun Feng,