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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

Abstract:

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 coefficients are used to test conventional transition state theory and the improved canonical variational theory with Marcus-Coltrin-path semiclassical adiabatic ground-state transmission coefficien...

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Publication status:
Published

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Publisher copy:
10.1063/1.442845
Journal:
JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:
76
Issue:
10
Pages:
4986-4995
Publication date:
1982-01-01
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Language:
English
Pubs id:
pubs:52810
UUID:
uuid:ce41d06c-0e03-45fc-8af0-c28e98b36687
Local pid:
pubs:52810
Source identifiers:
52810
Deposit date:
2013-11-17

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