Browsing by Author "Wang, Wenli"
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- An important well studied atmospheric reaction, O (1D) + H2Publication . Rio, Carolina; Brandão, J.; Wang, WenliAmong the chemical reactions in atmosphere, the reaction of an excited oxygen atom, O (View the MathML source), with ground state molecular hydrogen, H2 (View the MathML source), has been one of the most studied both experimentally and theoretically. To describe this reaction, various potential energy surfaces have been calibrated and their dynamics has been studied using quantum mechanical and quasiclassical trajectory methods. The theoretical results have shown to be in good agreement with experiment. The main uncertainties arise in the low temperature rate constants and in the isotopic branching ratio when reacting with HD.
- Caderno de aulas práticas de Introdução à Química FísicaPublication . Rio, Carolina; Wang, WenliCaderno de aulas práticas de IQF.
- Caderno de aulas práticas Química Geral e Inorgânica 2018-2019Publication . Wang, Wenli; Rio, CarolinaSebenta das Aulas Laboratoriais para disciplina de "Química Geral e Inorgânica" do ano lectivo 2018-2019
- Caderno de aulas práticas Química Geral e Inorgânica 2019-2020Publication . Wang, Wenli; Rio, CarolinaSebenta das Aulas Laboratoriais para disciplina de "Química Geral e Inorgânica" do ano lectivo 2019-2020
- Caderno de aulas práticas Química Geral e Inorgânica 2020-2021Publication . Wang, Wenli; Rio, CarolinaSebenta das Aulas Laboratoriais para disciplina de "Química Geral e Inorgânica" do ano lectivo 2020-2021
- Caderno de exercícios para "Termodinâmica e Cinética"Publication . Wang, WenliCaderno de Exercícios para disciplina de "Termodinâmica e Cinética"
- Caderno de exercícios para Teoria da Ligação QuímicaPublication . Wang, WenliCaderno de Exercícios para a disciplina "Teoria da Ligação Química" ano lectivo 2012/2013
- A caminho da farmácia: a camada de ozono e a proteção solarPublication . Rio, Carolina; Wang, WenliI . A camada de ozono II . Proteção solar III . Utilização de Software de Modelação molecular
- Isotopic effect in the O(1D) + DH reaction and H + OD <- > OH + D equilibrium.Publication . Rio, Carolina; Brandão, J.; Wang, WenliIn this work a recent double-valued potential energy surface for water molecule [1] is used in order to study the isotopic effect in O(1D) + DH reaction, by using quasiclassical trajectory calculations (QCT).
- Quasiclassical study of a termolecular reaction: a more detailed description of the HO2 collisional stabilization processPublication . Mogo, César; Brandão, João; Wang, Wenli; Coelho, Daniela; Rio, CarolinaWe present detailed studies of the collisional stabilization of the HO*2 radical in a mixture of hydrogen atoms and oxygen molecules using molecular dynamic studies and accurate potential energy surfaces. Following previous work on this process's global temperature and pressure dependencies, we analyze each collider's role and estimate specific rate constants and their temperature dependence.
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