Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.
Phys Rev Lett
; 86(9): 1729-32, 2001 Feb 26.
Article
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| MEDLINE
| ID: mdl-11290234
ABSTRACT
Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the 1 1A" excited state participates in the reaction.
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Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2001
Tipo del documento:
Article
País de afiliación:
España