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Full-electron calculation of effective electronic couplings and excitation energies of charge transfer states: Application to hole transfer in DNA π-stacks
In this work I develop and apply a theoretical method for calculating effective electronic couplings (or transfer integrals) between redox sites involved in hole or electron transfer reactions. The resulting methodology is a refinement and a generalization of a recently developed approach for transf...
Na minha lista:
| Príomhúdar: | |
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| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe: |
American Institute of Physics
2009
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| Ábhair: | |
| Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2766402/ https://ncbi.nlm.nih.gov/pubmed/19778106 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3232007 |
| Clibeanna: |
Cuir Clib Leis
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