| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385138 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠First detail theoretical study using ab initio and DFT theory. ⺠Potential energy surface of the reaction shows an indirect mechanism with the involvement of pre- and post-reaction complexes. ⺠Total rate constant and rate constants for each channel are reported in a wide temperature range of 250-1000 K. ⺠Calculated rate constant values are in good agreement with the available experimental results. ⺠Thermochemistry of the reaction is also reported.
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Authors
Kh. Jogeshwari Devi, Asit K. Chandra,