Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5412935 | Journal of Molecular Liquids | 2010 | 7 Pages |
Abstract
We present a systematic method to access molecular factors and rate constants for self-exchange electron transfer reactions in solution using partial least squares and a number of chosen descriptors. In this work it is shown that the log response for the set of reactions considered can be mostly described in terms of the Intersecting State Model (ISM) when the nonadiabaticity of transfers involving electrons in Ï*-orbitals is considered.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jorge C. Pereira, Carlos Serpa, Luis G. Arnaut, Sebastião J. Formosinho,