KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS
We consider three reactions: H+H2→H2+H; Mu+H2→MuH+H; Mu+D2→MuD+D. We calculate accurate quantum mechanical reaction probabilities and thermal rate coefficients for all three reactions in collinear geometry using the Liu-Siegbahn-Truhlar-Horowitz (LSTH) accurate potential energy surface. These rate c...
Hlavní autoři: | Bondi, D, Clary, D, Connor, J, Garrett, B, Truhlar, D |
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Médium: | Journal article |
Jazyk: | English |
Vydáno: |
1982
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