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REACTIONS OF STRONGLY POLAR IONS WITH MOLECULES

Abstract:
A theoretical study is reported on the effect of various long-range terms in the potential energy surface on the rate constants for the reactions of strongly polar ArH3+ with H2O and NH3. A rotationally adiabatic capture theory is used. It is found that dipole-dipole, dipole-induced dipole and dispersion terms produce a small enhancement (about 18%) of the rate constant calculated with only the ion-dipole and ion-induced dipoles terms in the potential energy surface. The calculated rate constants agree very well with experiment. © 1995.
Publication status:
Published

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Journal:
CHEMICAL PHYSICS LETTERS
Volume:
232
Issue:
3
Pages:
267-272
Publication date:
1995-01-13
DOI:
ISSN:
0009-2614
URN:
uuid:dda6a1b9-f53e-4aaf-898b-cd89bf2124ee
Source identifiers:
52989
Local pid:
pubs:52989
Language:
English

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