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Journal article

QUANTUM-THEORY OF PLANAR 4-ATOM REACTIONS

Abstract:

An exact quantum mechanical theory is developed to treat four-atom reactions of the type AB+CD↔(BCD+A, ACD+B), where the atoms are constrained to move in a plane. The theory makes use of an unbiased set of hyperspherical coordinates. A method is proposed for implementing the theory that exploits the potential optimized discrete variable representation. Application is made to the calculation of rovibrational state-to-state reaction probabilities for the reaction H2+OH↔H2O+H, in which the lengt...

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Publication status:
Published

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Publisher copy:
10.1063/1.466954

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Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
100
Issue:
1
Pages:
402-422
Publication date:
1994-01-01
DOI:
ISSN:
0021-9606
URN:
uuid:8c9c229a-fd68-4a29-8dc0-bab3c40b5a68
Source identifiers:
53007
Local pid:
pubs:53007
Language:
English

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