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Quantum dynamics calculations of the Mu+CH4 -> MuH+CH3 reaction rate constants

Abstract:

We report reduced dimensionality quantum mechanical calculations of the rate constants of the Mu + CH4 → MuH + CH3 reaction. An ab initio potential energy surface is developed to describe the reactive process in a two-dimensional space and incorporates the zero-point energy of the spectator modes using the CCSD(T, full)/cc-pVTZ//MP2(full)/cc-pVTZ method. Scattering calculations produced reaction probabilities and total rate constants. MuH products are formed mainly in their ground vibrational...

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
CHEMICAL PHYSICS LETTERS More from this journal
Volume:
421
Issue:
4-6
Pages:
499-503
Publication date:
2006-04-15
DOI:
ISSN:
0009-2614
Language:
English
Pubs id:
pubs:39938
UUID:
uuid:620a1d13-d690-4770-ae06-761e83f7837c
Local pid:
pubs:39938
Source identifiers:
39938
Deposit date:
2013-11-17

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