Effect of Coriolis coupling in chemical reaction dynamics

It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis c...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2008-01, Vol.10 (18), p.2431-2441
Hauptverfasser: CHU, Tian-Shu, HAN, Ke-Li
Format: Artikel
Sprache:eng
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Zusammenfassung:It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis coupling effect in reaction dynamics of triatomic molecular systems. We present the results of our own calculations by the time-dependent quantum wave packet approach for H + D2 and F(2P3/2,2P1/2) + H2 as well as for the ion-molecule collisions of He + H2 +, D(-) + H2, H(-) + D2, and D+ + H2, after reviewing in detail other related research efforts on this issue.
ISSN:1463-9076
1463-9084
DOI:10.1039/b715180b