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Four-center reactions: A quantal model for H-4

Abstract:

We develop a quantal model for studying four-center reactions, A2+B2→2AB, and collision induced dissociation A2+B2→A+B2+A. The method involves using hyperspherical coordinates to describe vibrations of the A2 and B2 bonds and a global vibration and rotation of the exchange products. Application to the H4 system is presented, using a realistic potential energy surface. The reaction goes through a four-center linear transition state located just above the dissociation threshold. In the energy r...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
104
Issue:
21
Pages:
8413-8423
Publication date:
1996-06-01
ISSN:
0021-9606
URN:
uuid:956b2831-4463-4b7d-9f07-9a822d28efbe
Source identifiers:
52970
Local pid:
pubs:52970
Language:
English

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