2000 | OriginalPaper | Buchkapitel
Approximate Time Independent Methods for Polyatomic Reactions
verfasst von : Joel M. Bowman
Erschienen in: Reaction and Molecular Dynamics
Verlag: Springer Berlin Heidelberg
Enthalten in: Professional Book Archive
Aktivieren Sie unsere intelligente Suche um passende Fachinhalte oder Patente zu finden.
Wählen Sie Textabschnitte aus um mit Künstlicher Intelligenz passenden Patente zu finden. powered by
Markieren Sie Textabschnitte, um KI-gestützt weitere passende Inhalte zu finden. powered by
In this chapter I review approximation methods to describe the quantum reactive scattering of polyatomic molecules. These methods are known generically as “reduced dimensionality” approximations. I will review several versions of this method, and focus on the so-called J-shifting approximation and very recent developments of it. These new developments are reviewed for the OH + H2reaction, where apparent discrepancies between coupled-states and standard J-shifting rate constants are resolved. I also present new expressions in the spirit of J-shifting for reactions that proceed via complex formation.