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Interactions of Mz–X complexes (M = Cu, Ag, and Au; X = He, Ne, and Ar; and z = ±1)
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10.1063/1.3526955
/content/aip/journal/jcp/134/2/10.1063/1.3526955
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/2/10.1063/1.3526955

Figures

Image of FIG. 1.
FIG. 1.

Computational potential energy curves of the triplet states of M+–X (M = Cu, Ag, and Au, and X = He, Ne, and Ar) complexes.

Image of FIG. 2.
FIG. 2.

Computational potential energy curves of the singlet states of M–X (M = Cu, Ag, and Au, and X = He, Ne, and Ar) complexes.

Tables

Generic image for table
Table I.

The equilibrium distances, dissociation energies, fitted parameters of analytical potential energy function, and RMS values for the singlet states of M+–X complexes. Distances in (Å), dissociation energies in (cm−1), and all the fitted parameters and RMSs are in (a.u).

Generic image for table
Table II.

The equilibrium distances, dissociation energies, fitted parameters of analytical potential energy function, and RMS values for the triplet states of M+–X complexes. Distances in (Å), dissociation energies in (cm−1), and all the fitted parameters and RMSs are in (a.u).

Generic image for table
Table III.

The equilibrium distances, the dissociation energies, the fitted parameters of analytical potential energy function, and RMS values for the singlet states of M–X complexes. Distances in (Å), dissociation energies in (cm−1), and all the fitted parameters and RMSs are in (a.u).

Generic image for table
Table IV.

The vibrational energy levels of the singlet states of M+–X complexes (energies in cm−1).

Generic image for table
Table V.

The vibrational energy levels of the triplet states of M+–X complexes (energies in cm−1).

Generic image for table
Table VI.

The vibrational energy levels of the singlet states of M–X complexes (energies in cm−1).

Generic image for table
Table VII.

Spectroscopic parameters for the singlet states of M+–X complexes.

Generic image for table
Table VIII.

Spectroscopic parameters for the triplet states of M+–X complexes.

Generic image for table
Table IX.

Spectroscopic parameters for singlet states of M–X complexes.

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/content/aip/journal/jcp/134/2/10.1063/1.3526955
2011-01-12
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Interactions of Mz–X complexes (M = Cu, Ag, and Au; X = He, Ne, and Ar; and z = ±1)
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/2/10.1063/1.3526955
10.1063/1.3526955
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