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RATE-CONSTANT CALCULATIONS ON FAST DIATOM DIATOM REACTIONS

Abstract:

A new method for calculating rate constants for fast reactions between two diatomic molecules is presented. The method involves applying a rotationally adiabatic capture theory with a simultaneous treatment of the rotational motions of both molecules. Results from calculations for dipole-dipole (SO + OH) and dipole-quadrupole (CN + O2) interactions are compared with those obtained using more approximate methods based on various sudden approximations. Analytical formulae are derived for the ra...

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Publication status:
Published

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Publisher copy:
10.1039/ft9918701667

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Journal:
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
Volume:
87
Issue:
11
Pages:
1667-1679
Publication date:
1991-06-07
DOI:
EISSN:
1364-5455
ISSN:
0956-5000
URN:
uuid:f0cb40dc-8834-4fb3-9698-f42265a7567d
Source identifiers:
52848
Local pid:
pubs:52848
Language:
English

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