Anomalously Strong Effect of the Ion Sign on the Thermochemistry of Hydrogen Bonded Aqueous Clusters of Identical Chemical Composition

The sign preference of hydrogen bonded aqueous ionic clusters X±(H(2)O)(i) (n =1–5, X = F; Cl; Br) has been investigated using the Density Functional Theory and ab initio MP2 method. The present study indicates the anomalously large difference in formation free energies between cations and anions of...

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Detalles Bibliográficos
Autores principales: Nadykto, Alexey B., Yu, Fangqun, Natsheh, Anas Al
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2660665/
https://www.ncbi.nlm.nih.gov/pubmed/19333418
http://dx.doi.org/10.3390/ijms10020507

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2660665/
https://www.ncbi.nlm.nih.gov/pubmed/19333418
http://dx.doi.org/10.3390/ijms10020507

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