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Theoretical characteristics of the bound states of M-X complexes (, Ag, and Au, and , Ne, and Ar)
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10.1063/1.3274815
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Affiliations:
1 College of Physics and Electronic Engineering, Ludong University, Yantai 264025, People’s Republic of China
a) Author to whom correspondence should be addressed. Tel.: +86 535 6672870. FAX: +86 535 6672870. Electronic mail: yangchuanlu@263.net.
J. Chem. Phys. 131, 244304 (2009)
/content/aip/journal/jcp/131/24/10.1063/1.3274815
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/24/10.1063/1.3274815

## Figures

FIG. 1.

Computational PECs of the bound states of Cu-X (, Ne, and Ar) complexes.

FIG. 2.

Computational PECs of the bound states of Ag-X (, Ne, and Ar) complexes.

FIG. 3.

Computational PECs of the bound states of Au-X (, Ne, and Ar) complexes.

## Tables

Table I.

The equilibrium distances and dissociation energies for the rare gas complexes. (BS1 represents aug-cc-pVQZ, BS2 represents d-aug-cc-pVQZ, and BS3 represents aug-cc-pV5Z basis sets. All include bond functions of 3s3p2d2f1g.)

Table II.

The equilibrium distances and dissociation energies for the bound states of M-X complexes.

Table III.

Fitted parameters of APEF for the bound states of M-X complexes. ( in .)

Table IV.

The vibrational energy levels of the bound states of M-Ne and M-Ar complexes. (The levels of the ground states are set to zero and the energies in .)

Table V.

Spectroscopic parameters for the bound states of M-X complexes.

/content/aip/journal/jcp/131/24/10.1063/1.3274815
2009-12-29
2014-04-21

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