A modified potential for HO2 with spectroscopic accuracy

Seven ground state potential energy surfaces for the hydroperoxyl radical are compared. The potentials were determined from either high-quality ab initio calculations, fits to spectroscopic data, or a combination of the two approaches. Vibration-rotation calculations are performed on each potential...

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Detalhes bibliográficos
Autor principal: Rio, Carolina (author)
Outros Autores: Tennyson, Jonathan (author), Brandão, J. (author)
Formato: article
Idioma:eng
Publicado em: 2015
Assuntos:
Texto completo:http://hdl.handle.net/10400.1/6662
País:Portugal
Oai:oai:sapientia.ualg.pt:10400.1/6662