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A molecular density functional theory approach to electron transfer reactions
Beyond the dielectric continuum description initiated by Marcus theory, the standard theoretical approach to study electron transfer (ET) reactions in solution or at interfaces is to use classical force field or ab initio molecular dynamics simulations. We present here an alternative method based on...
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| Publicado en: | Chem Sci |
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| Autores principales: | , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6385486/ https://ncbi.nlm.nih.gov/pubmed/30881637 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc04512g |
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