Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents
Date
2005
Authors
Leontyev, I V
Tovmash, A V
Vener, M V
Rostov, Ivan
Basilevsky, M V
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Elsevier
Abstract
Outersphere reorganization energies (λ) for intramolecular electron transfer (ET) and hole transfer are studied in anion- and cation-radical forms of complex organic substrates (biphenylyl-spacer-naphtyl) in polar solvents simulated by means of the nonpo
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Keywords: Electron transfer; Inertial polarization; Inertialess polarization; Molecular dynamical simulation; Reorganization energy
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Chemical Physics
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Journal article
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2037-12-31
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