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FAST REACTIONS BETWEEN DIATOMIC AND POLYATOMIC-MOLECULES

Abstract:

Calculations of rate constants are presented for fast neutral reactions between polar diatomic and polyatomic molecules. The method applies the infinite-order sudden approximation to treat the rotations of the diatomic molecule and a rotationally adiabatic approximation with asymmetric top wavefunctions to describe the rotations of the polyatomic. A capture approximation is used to calculate reaction cross sections and rate constants. The interaction potential is expressed as a sum of dipole-...

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Publication status:
Published

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Publisher copy:
10.1021/j100197a039

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Journal:
JOURNAL OF PHYSICAL CHEMISTRY
Volume:
96
Issue:
18
Pages:
7346-7351
Publication date:
1992-09-03
DOI:
EISSN:
1541-5740
ISSN:
0022-3654
URN:
uuid:05c7c3be-9ec1-407a-b981-e5c176e4aec0
Source identifiers:
53017
Local pid:
pubs:53017
Language:
English

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