Issue 11, 2003
From the journal:

Physical Chemistry Chemical Physics

Time dependent wave packet study of the electronically non-adiabatic Cl + H2 reaction using a one-dimensional model

Frederico V. Prudente,a   Antonio Riganellib  and  Jorge M. C. Marquesc  

a Instituto de Física, Universidade Federal da Bahia, Salvador, BA, Brazil
E-mail: prudente@ufba.br

b Dipartimento di Chimica, Universitá di Perugia, 06123 Perugia, Italy
E-mail: auto@impact.dyn.unipg.it

c Departamento de Química, Universidade de Coimbra, 3004-355 Coimbra, Portugal
E-mail: qtmarque@ci.uc.pt

Abstract

We report a time dependent wave packet calculation of the electronically non-adiabatic Cl + H2 reaction using a one-dimensional diabatic potential model. The funnel resonances are characterized for a large range of the energy, and the results compared with recent time independent calculations using the same model.

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Article information

DOI
https://doi.org/10.1039/B301010D
Article type
Paper
Submitted
24 Jan 2003
Accepted
03 Apr 2003
First published
22 Apr 2003

Phys. Chem. Chem. Phys., 2003,5, 2354-2359

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Time dependent wave packet study of the electronically non-adiabatic Cl + H2 reaction using a one-dimensional model

F. V. Prudente, A. Riganelli and J. M. C. Marques, Phys. Chem. Chem. Phys., 2003, 5, 2354 DOI: 10.1039/B301010D

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