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A theoretical study of the cohesion of noble gases on graphite
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10.1063/1.2819242
/content/aip/journal/jcp/128/2/10.1063/1.2819242
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/2/10.1063/1.2819242

Figures

Image of FIG. 1.
FIG. 1.

Three positions of absorption of noble gas on graphite: above the center of the six membered ring , above the center of the carbon-carbon bond , and above the carbon atom . denotes the nearest carbon, denotes second nearest carbon; distances outside circles are treated as continuum. At the top site the first nearest carbon neighbor lies directly below the noble gas atom.

Tables

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Table I.

Noble gas parameters and coefficients of purely dipolar dispersive interactions (a.u.).

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Table II.

Carbon and graphite parameters (a.u.).

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Table III.

Dipole-quadrupole dispersion coefficients and dependent parameters (a.u.).

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Table IV.

Comparison of computed and analytic quadrupole-induced-dipole energies. Energies in a.u. and distances in Å. For definitions of fields see text.

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Table V.

Contributions to the electric field generated by carbon atom quadrupole moments (a.u.). For definitions of fields see text. Distances in Å and lower boundary for start of continuum treatment in a.u.

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Table VI.

Binding predicted without inclusion of the Axilrod-Teller interaction. Binding energies in and equilibrium separations in Å with , , or . Experimental data from Ref. 74.

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Table VII.

Binding predicted with inclusion of the Axilrod-Teller interaction. See notes in Table VI.

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/content/aip/journal/jcp/128/2/10.1063/1.2819242
2008-01-14
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A theoretical study of the cohesion of noble gases on graphite
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/2/10.1063/1.2819242
10.1063/1.2819242
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