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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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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2013
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3668459/ https://ncbi.nlm.nih.gov/pubmed/23651109 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp311418q |
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