N + CN → C + N 2 : A global potential energy surface, entrance channel recrossing and the applicability of capture theory
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|
|Source:||Chemical Physics Letters|
|01_Frankcombe_N_+_CN_→_C_+_N_2_:_A_global_2011.pdf||336.22 kB||Adobe PDF||Request a copy|
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