Tunnelling in low-temperature hydrogen-atom and proton transfers

The reaction path of the interacting-state model with the Lippincott-Schroeder potential for hydrogen bonds, is used in transition-state theory calculations with the semiclassical correction for tunnelling (LS-ISM/scTST) to estimate proton and hydrogen-atom transfer rates at low temperatures. Down t...

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Bibliographic Details
Main Author: Arnaut, Luís G. (author)
Other Authors: Formosinho, Sebastião J. (author), Barroso, Mónica (author)
Format: article
Language:eng
Published: 2006
Subjects:
Online Access:http://hdl.handle.net/10316/5091
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/5091