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Violation of microscopic reversibility and the use of reverse quais-classical trajectories for calculating reaction cross sections

โœ Scribed by Joel M. Bowman; George C. Schatz; Aron Kupperman


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
270 KB
Volume
24
Category
Article
ISSN
0009-2614

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Classical trajectory calculation of the
โœ R.A. Labudde; P.J. Kuntz; R.B. Bernstein; R.D. Levine ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 331 KB

The translational energy (Lb) dependence of thkreaction cross section oR for K f RI \* Ki f R (R = CII3) has been calculated (via clxsical trajectories) using a threcbody potential of the electron-jcmp type. Ihe m&mum irz the computed oR(E$,), attributed to recrossing from the ionic to covalent pote