| Autor: |
A. Smolyar, Y. Magarshak, J. Malinsky, A. Lipman |
| Rok vydání: |
2010 |
| Předmět: |
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| Zdroj: |
ChemInform. 24 |
| ISSN: |
0931-7597 |
| Popis: |
The rate of electron transfer was studied in typical organic molecules. The approach is based on a Green’s function technique which allows one to account for multiscattering electron tunneling. Quantum‐chemical calculations are used to obtain the parameters of dynamical Dyson’s equations for relevant double‐time retarded Green’s function. The parameters are used to estimate electron tunneling rate including neutral and mononegative ions of the α, ω‐diphenylalkanes with different numbers of methyl groups. The role of bridge as the conductor of an extra electron is demonstrated from results of the calculations. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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