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Electronic structure of aqueous solutions: Bridging the gap between theory and experiments

Predicting the electronic properties of aqueous liquids has been a long-standing challenge for quantum mechanical methods. However, it is a crucial step in understanding and predicting the key role played by aqueous solutions and electrolytes in a wide variety of emerging energy and environmental te...

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Detalles Bibliográficos
Autores principales: Pham, Tuan Anh, Govoni, Marco, Seidel, Robert, Bradforth, Stephen E., Schwegler, Eric, Galli, Giulia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5482551/
https://www.ncbi.nlm.nih.gov/pubmed/28691091
http://dx.doi.org/10.1126/sciadv.1603210