4.6 Article

Time-dependent quantum dynamical study of C(D-1)+H-2 -> CH+H and S(D-1)+H-2 -> SH+H reactive collisions

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 6, 期 16, 页码 4105-4110

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ROYAL SOC CHEMISTRY
DOI: 10.1039/b404806g

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A time-dependent method is used to calculate reaction probabilities for J = 0 for C(D-1) + H-2 (v = 0, j = 0) --> CH( v', j') + H and S(D-1) + H-2 (v = 0, j = 0) --> SH (v', j') + H indirect reactive collisions. The state-to-state probabilities are dominated by a strong resonance structure associated with the formation of a long-lived triatomic complex during the collision. We compare our results with those obtained using a time-independent hyperspherical coordinates method. The agreement is very good: in particular, the narrow resonances obtained with the wave packet method correspond exactly to those of the time-independent results.

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