Molecular simulations of outersphere reorganization energies in polar and quadrupolar solvents. The case of intramolecular electron and hole transfer
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Vener, M V; Tovmash, A V; Rostov, Ivan; Basilevsky, M V
Description
Outersphere reorganization energies (λ) for intramolecular electron and hole transfer are studied in anionand cation-radical forms of complex organic substrates (p-phenylphenyl-spacer-naphthyl) in polar (water, 1,2-dichloroethane, tetrahydrofuran) and qu
Collections | ANU Research Publications |
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Date published: | 2006 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/17233 |
Source: | Journal of Physical Chemistry B |
DOI: | 10.1021/jp061069h |
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