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

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 Χ±(H2O)i (n =1-5, Χ = 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 anio...

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Bibliographic Details
Main Authors: Alexey B. Nadykto, Anas Al Natsheh, Fangqun Yu
Format: Article
Language:English
Published: MDPI AG 2009-02-01
Series:International Journal of Molecular Sciences
Subjects:
Ionic clusters
DFT
ab initio
sign preference
Gibbs free energies
hydrogen bonded complexes
Online Access:http://www.mdpi.com/1422-0067/10/2/507/

Internet

http://www.mdpi.com/1422-0067/10/2/507/

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