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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Detalles Bibliográficos
Autores principales: Jeanmairet, Guillaume, Rotenberg, Benjamin, Levesque, Maximilien, Borgis, Daniel, Salanne, Mathieu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6385486/
https://www.ncbi.nlm.nih.gov/pubmed/30881637
http://dx.doi.org/10.1039/c8sc04512g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6385486/
https://www.ncbi.nlm.nih.gov/pubmed/30881637
http://dx.doi.org/10.1039/c8sc04512g

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