ISOMERIZATION PATH BIFURCATION OF CYCLIC INTERMEDIATE NO2·O2N OF THE NITRIC(II) OXIDE OXIDATION REACTION |
| 5 | |
| 2010 |
| scientific article | 544.431+544.18 | ||
| 91-97 | mechanism, oxidation, nitric oxide, bifurcation, reaction path, gradient line |
| A branching point of the reaction path NO2O2N?O2NNO2 has been found by a quantum-chemical study of the
nitric oxide oxidation reaction. It has been shown that the bifurcation point is a valley-ridge inflection point on the
potential-energy surface (PES). Bifurcation point search procedures are considered. Restrictions on the intrinsic
reaction coordinate method are discussed, as well as some physical-chemical effects occurring due to bifurcation
points. |
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