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A density-functional study of the vertical ionization potentials of the cluster
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10.1063/1.3190494
/content/aip/journal/jcp/131/4/10.1063/1.3190494
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/4/10.1063/1.3190494

Figures

Image of FIG. 1.
FIG. 1.

Lowest-energy isomer of , with its atomic magnetic moments (in ). Numbers on atoms are used to refer to these atoms in Table I. Yellow (light gray) atoms have “spin up” magnetic moments and red (dark gray) atoms have “spin down” magnetic moments.

Image of FIG. 2.
FIG. 2.

Vertical electron ionization energies from the ground state (G.S.) and four lowest-energy isomers of . is the spin multiplicity .

Tables

Generic image for table
Table I.

Interatomic distances (in Å) in the lowest-energy isomer of (atom numbering as in Fig. 1).

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/content/aip/journal/jcp/131/4/10.1063/1.3190494
2009-07-23
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A density-functional study of the vertical ionization potentials of the cluster Mn13
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/4/10.1063/1.3190494
10.1063/1.3190494
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