Article ID Journal Published Year Pages File Type
5382607 Chemical Physics Letters 2013 5 Pages PDF
Abstract
► Classical reaction dynamics simulation of the CH3+ + H2 → CH5+ + hν reaction. ► Ab initio PES was constructed using modified Shepard interpolation. ► Rate coefficient was derived from cross section of unfinished trajectories. ► Good agreement with past experimental and theoretical results.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Rate coefficient for the important interstellar radiative association between CH3+ and H2 from classical reaction dynamics
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