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Can I read State-to-state quasi-classical trajectory study of the F + CH2D2 reaction on EtoBox?
State-to-state quasi-classical trajectory study of the F + CH2D2 reaction by Joaquín Espinosa-García is a Physics and Astronomy article available to read on EtoBox.
What is State-to-state quasi-classical trajectory study of the F + CH2D2 reaction about?
The reaction of fluorine atoms with bideuterated methane can evolve along two paths, D-and H-abstraction. On an analytical potential energy surface (PES-2006) recently developed by our research group, quasi-classical trajectory (QCT) calculations were performed at different collision energies. The dynamics properties of the two paths -vibrational and rotational distributions, product energy partitioning, excitation functions and scattering distributions -are in general similar, suggesting the idea of an almost similar importance of the two mechanisms, with the H-abstraction being slightly favoured. Comparison with the scarce experimental information shows reasonable agreement, and the differences could be due to deficiencies of the PES, but also to the known limitations of the QCT method.
Who reads State-to-state quasi-classical trajectory study of the F + CH2D2 reaction?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Joaquín Espinosa-García
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 2009
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)