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Quantum mechanical study of the vibrational relaxation of O(2)(+) colliding with Kr

Abstract:

Coupled states calculations on the vibrational relaxation of O+2(υ = 1) colliding with Kr are reported. In the first stage, calculations have been done on single potential energy surfaces and different surfaces have been used. Then treating O+2 as a molecule in a Π ground electronic state, we have performed quantum scattering calculations on the vibrational relaxation on two 1 2A″ and 1 2A′ surfaces. A significant effect due to the inclusion of the second potential surface is reported. A comp...

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Publication status:
Published

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Publisher copy:
10.1063/1.479465

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
111
Issue:
5
Pages:
1972-1978
Publication date:
1999-08-01
DOI:
ISSN:
0021-9606
URN:
uuid:bf69ea91-1f59-4986-ad20-bbea9f219182
Source identifiers:
52785
Local pid:
pubs:52785
Language:
English

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