Entropy from State Probabilities: Hydration Entropy of Cations

[Image: see text] Entropy is an important energetic quantity determining the progression of chemical processes. We propose a new approach to obtain hydration entropy directly from probability density functions in state space. We demonstrate the validity of our approach for a series of cations in aqu...

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Detalles Bibliográficos
Autores principales: Huber, Roland G., Fuchs, Julian E., von Grafenstein, Susanne, Laner, Monika, Wallnoefer, Hannes G., Abdelkader, Nejma, Kroemer, Romano T., Liedl, Klaus R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3668459/
https://www.ncbi.nlm.nih.gov/pubmed/23651109
http://dx.doi.org/10.1021/jp311418q

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3668459/
https://www.ncbi.nlm.nih.gov/pubmed/23651109
http://dx.doi.org/10.1021/jp311418q

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