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An ab initio study of the and water clusters
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10.1063/1.3231684
/content/aip/journal/jcp/131/10/10.1063/1.3231684
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/10/10.1063/1.3231684

Figures

Image of FIG. 1.
FIG. 1.

Structures of the clusters obtained at the MBPT(2)/ level [(a): dodecahedron, (b): cage, (c): cubic, (d): prismic]; the oxygen of the cation is enlarged.

Image of FIG. 2.
FIG. 2.

Structures of the clusters obtained at the MBPT(2)/ level [(a): cage, (b): prismic, (c): dodecahedron, (d): cubic]; the oxygen of the cation is enlarged.

Tables

Generic image for table
Table I.

The relative energies of the clusters (in kcal/mol) optimized at the different levels of theory. The values in parentheses include ZPE corrections. The details are in the text.

Generic image for table
Table II.

The relative energies of the clusters (in kcal/mol) optimized at the different levels of theory. The values in parentheses include ZPE corrections. The details are in the text.

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/content/aip/journal/jcp/131/10/10.1063/1.3231684
2009-09-14
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: An ab initio study of the (H2O)20H+ and (H2O)21H+ water clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/10/10.1063/1.3231684
10.1063/1.3231684
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