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Accurate calculations of cross sections and rate coefficients of some atom - diatom reactions relevant to plasma chemistry

A Laganà-+, S Crocchianti-+, G Ochoa de Aspuru-+, A Riganelli-+ and E García++

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Theoretical approaches to the accurate dynamical calculation of cross sections and rate coefficients of neutral atom - diatom reactions are illustrated. Computational steps needing to be accomplished in order to tackle the study of some gas phase reactions are examined. By making reference to our work calculated properties of these reactions are discussed in detail to stress when and where theory has been successful in reproducing experimental findings and to evidence some new insights stimulated by the theoretical investigation.


PACS

82.33.Xj Plasma reactions (including flowing afterglow and electric discharges)

52.20.Hv Atomic, molecular, ion, and heavy-particle collisions

Subjects

Plasma physics

Chemical physics and physical chemistry

Dates

Issue 3 (August 1997)

Received 14 February 1997, in final form 27 May 1997



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