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Kinematic distribution function to calculate rotational populations of photofragments from photodissociation of triatomic molecules
Author(s) -
Muñoz Luis A.,
Ishikawa Yasuyuki,
Weiner Brad R.
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560400835
Subject(s) - triatomic molecule , photodissociation , kinematics , distribution (mathematics) , molecule , function (biology) , chemistry , atomic physics , physics , computational chemistry , classical mechanics , quantum mechanics , photochemistry , mathematics , mathematical analysis , evolutionary biology , biology
A general procedure to evaluate the rotational state population distributions of the nascent photofragments from the photodissociation of polyatomic molecules has been implemented with the use of the kinematic distribution function developed by Chen and Pei [Chem. Phys. Lett. 124 , 365 (1986)]. Numerical evaluations of rotational state population distributions of diatomic photofragments from photodissociation of the general class of triatomic molecules are presented. The calculated rotational state population distributions are compared with the most recent experimental data on OH and SH photofragments to obtain the information on the kinematic aspects of the photodissociating H 2 O and H 2 S molecules.