Utilize este identificador para referenciar este registo: http://hdl.handle.net/10400.1/6767
Título: The dynamics of the reaction between O (1D) and DH and the isotopic effect
Autor: Rio, Carolina
Brandão, João
Palavras-chave: Combustion chemistry
Quasiclassical and capture studies
Data: Out-2004
Editora: Minnesota Supercomputer Institute-University
Resumo: The reaction O(1D) + H2  OH + H and its isotopic variants plays an important role in atmospheric chemistry and also is important in combustion chemistry. It has been taken as a prototype for insertion reactions. As a result, it has been subject of several experimental studies. Also theoretical studies of its dynamics have been carried out.
Descrição: In particular, we analyse the reactive cross section, the opacity function, and the differential cross sections. In this work we also study the energy distribution of the products for the O(1D) + DH reaction. We also analyse the H/D ratio, H/D, where there are larger divergences between the results from different potential energy surfaces and experiment. The agreement found between our QCT results [3,4,5] and experiment reinforces the accuracy of the H2O potential energy surface used.
Peer review: yes
URI: http://hdl.handle.net/10400.1/6767
Aparece nas colecções:FCT4-Vários

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