N + CN → C + N 2 : A global potential energy surface, entrance channel recrossing and the applicability of capture theory
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Frankcombe, Terry; McNeil, Steven; Nyman, Gunnar
Description
A global potential energy surface for the CN2 system has been developed with the aim of studying the N+CN→C+N2 reaction at low temperatures. A three-dimensional analytic functional form has been fit to CASPT3/cc-pVQZ energies. Classical trajectory simul
| Collections | ANU Research Publications |
|---|---|
| Date published: | 2011 |
| Type: | Journal article |
| URI: | http://hdl.handle.net/1885/62226 |
| Source: | Chemical Physics Letters |
| DOI: | 10.1016/j.cplett.2011.08.047 |
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| File | Description | Size | Format | Image |
|---|---|---|---|---|
| 01_Frankcombe_N_+_CN_→_C_+_N_2_:_A_global_2011.pdf | 336.22 kB | Adobe PDF | Request a copy |
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