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ABINITIO COMPUTATION OF VIBRATIONAL-RELAXATION RATE COEFFICIENTS FOR THE COLLISIONS OF CO-2 WITH HELIUM AND NEON ATOMS

Abstract:

Ab initio calculations of rate coefficients are reported for the vibrational relaxation of CO2 molecules in collision with helium and neon atoms. Self consistent-field computations have been performed to parameterise simple three-dimensional potential energy functions which have been used in vibrational close-coupling, rotational infinite-order-sudden calculations of rate coefficients. Excellent agreement is obtained between the calculated and experimental rate coefficients for the deactivati...

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Publication status:
Published

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Journal:
CHEMICAL PHYSICS More from this journal
Volume:
65
Issue:
2
Pages:
247-257
Publication date:
1982-01-01
DOI:
ISSN:
0301-0104
Language:
English
Pubs id:
pubs:52814
UUID:
uuid:1f4b2a06-3bcf-47ae-9f52-9b830e099c36
Local pid:
pubs:52814
Source identifiers:
52814
Deposit date:
2013-11-17

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