Article ID Journal Published Year Pages File Type
5384985 Chemical Physics Letters 2010 8 Pages PDF
Abstract
►The reactions are typical 'two-state reactivity' (TSR) reaction. ►The reactions are O-atom abstraction mechanism for catalysts RuO+ and OsO+. ►The computed SOC matrix elements are strong in these regions for the MECP. ►Intersystem crossing takes place with a large probability.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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