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Conversion pathways between a fullerene and a ring among clusters by a sphere contracting walk method: Remarkable difference in local potential energy landscapes around the fullerene and the ring
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10.1063/1.2192784
/content/aip/journal/jcp/124/17/10.1063/1.2192784
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/17/10.1063/1.2192784

Figures

Image of FIG. 1.
FIG. 1.

Minima and first-order saddle points along the conversion pathway (I) between the single ring I- and the fullerene I-.

Image of FIG. 2.
FIG. 2.

Minima and first-order saddle points along the conversion pathway (II) between the single ring II- and the fullerene II-.

Image of FIG. 3.
FIG. 3.

The energy profile along the conversion pathway (I) shown in Fig. 1. Energies are shown in eV with respect to the single ring I-.

Image of FIG. 4.
FIG. 4.

The energy profile along the conversion pathway (II) shown in Fig. 2. Energies are shown in eV with respect to the single ring II-.

Image of FIG. 5.
FIG. 5.

(a) A part of conversion pathway (II) between the single ring II- and the double ring II- in Fig. 2. Relative energies are shown in eV with respect to II-. Top and side views of structures of II--3, II-,2 and selected points between II- and II- are shown in (a) and (b), respectively.

Tables

Generic image for table
Table I.

Reaction coordinate and relative energies (eV) with respect to the single ring of minima and first-order saddle points along the pathway (I) shown in Fig. 1.

Generic image for table
Table II.

Reaction coordinate and relative energies (eV) with respect to the single ring of minima and first-order saddle points along the pathway (II) shown in Fig. 2.

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/content/aip/journal/jcp/124/17/10.1063/1.2192784
2006-05-04
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Conversion pathways between a fullerene and a ring among C20 clusters by a sphere contracting walk method: Remarkable difference in local potential energy landscapes around the fullerene and the ring
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/17/10.1063/1.2192784
10.1063/1.2192784
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