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|Type:||Artigo de periódico|
|Title:||Electrical Field Effects On Dipole Moment, Structure And Energetic Of (h2o)n (2 ≤ N ≤ 15) Cluster|
|Abstract:||The effect of an external electric field on water clusters of the (H2O)n type, with [1 ≤ n ≤ 15], in the ground state was analyzed at the B3LYP/cc-pVTZ level of theory. The calculations showed that an external electric field changes the number of hydrogen bonds, reduces the cluster sizes and increases the strength of the inter-cluster hydrogen bonds. The particular symmetry of the cluster and the null dipole moment in these specific configurations suggest that their stability can be associated with a perfect alignment of the water molecules, maximizing attractive electrostatic interactions caused by changes in the charge distribution of the clusters. Crown Copyright © 2009.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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