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Quasiclassical trajectory study of the rotational distribution for the O+NO( v = 0) fundamental vibrational excitation
Author(s) -
Galvão B. R. L.,
CorzoEspinoza J. A.,
Caridade P. J. S. B.,
Varandas A. J. C.
Publication year - 2011
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.20560
Subject(s) - chemistry , adiabatic process , excitation , boltzmann constant , boltzmann distribution , atomic physics , reaction rate constant , symmetry (geometry) , quantum mechanics , physics , kinetics , geometry , mathematics
Quasiclassical trajectories have been run to study the fundamental one‐quantum vibrational transition formed from collisions of ground‐state nitric oxide with atomic oxygen at temperatures of 500, 750, and 1000 K. Two adiabatic potential energy surfaces of different symmetry ( 2 A ′ and 2 A ″ of NO 2 ) have been utilized. The rate constant for the title process is given along with the rotational distributions, and the results shown to corroborate previous atmospheric models that describe the nascent state by a Maxwell–Boltzmann distribution at the local temperature. © 2011 Wiley Peiodicals, Inc. Int J Chem Kinet 43: 345–352, 2011