Dynamics of rare-gas atom-diatom reactions

Autor:	Sang Joon Hahn, Seong Keun Kim
Rok vydání:	1993
Předmět:	Excitation function chemistry.chemical_classification Chemistry Scattering Branching fraction Potential energy surface General Engineering Physical and Theoretical Chemistry Atomic physics Impulse (physics) Collision Diatomic molecule Inorganic compound
Zdroj:	The Journal of Physical Chemistry. 97:2072-2077
ISSN:	1541-5740 0022-3654
DOI:	10.1021/j100112a004
Popis:	Quasiclassical trajectory calculations have been carried out for reactions between rare-gas atom-diatom pairs of Kr+Ar 2 , Fe+Ar 2 , and Kr+Fe 2 . A potential energy surface represented by pairwise additive diatomic Morse potentials plus a three-body Axilrod-Teller term was used. Experimental scattering angle distributions and the form of the excitation function (∞E -1.9 ) were nearly reproduced. A detailed analysis of time-dependent trajectories indicates that most reactive encounters involve either a knock-out or a sequential impulse collision, with virtually no stripping mechanism in action over the entire collision energy range studied
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3aed7d816785bda12b4202e6e5fd681c https://doi.org/10.1021/j100112a004 Zobrazit plný text záznamu