Intersecting-state model calculations on fast and ultrafast excited-state proton transfers in naphthols and substituted naphthols

The intersecting-state model (ISM) is applied to the calculation of absolute rate constants for proton-transfer reactions of naphthols and substituted naphthols in the first singlet state and for ground states. ISM incorporates quantum-mechanical tunnelling, zero-point energy corrections and an elec...

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Detalhes bibliográficos
Autor principal: Barroso, Mónica (author)
Outros Autores: Arnaut, Luís G. (author), Formosinho, Sebastião J. (author)
Formato: article
Idioma:eng
Publicado em: 2002
Assuntos:
Texto completo:http://hdl.handle.net/10316/5175
País:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/5175