Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments

Aqueous clusters are important in a variety of biological and materials systems. Here Willset al. develop a theoretical approach based on a group additivity relationship which allows the evaluation of a wide range of clusters without the need of cumbersome ab initiocalculations.

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Detalles Bibliográficos
Autores principales: Lindsay A. Wills, Xiaohui Qu, I-Ya Chang, Thomas J. L. Mustard, Douglas A. Keszler, Kristin A. Persson, Paul Ha-Yeon Cheong
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/1f3d199c47a44ad3b6b04851df93770c
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Sumario:Aqueous clusters are important in a variety of biological and materials systems. Here Willset al. develop a theoretical approach based on a group additivity relationship which allows the evaluation of a wide range of clusters without the need of cumbersome ab initiocalculations.