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Structure and interaction energies of the Ar…Cl2 complex. Application of first-order intermolecular potentials

✍ Scribed by A.A. Buchachenko; N.F. Stepanov

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
409 KB
Volume
261
Category
Article
ISSN
0009-2614

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✦ Synopsis

The first-order intermolecular perturbation theory developed in the frame of a diatomics-in-molecule approach is used to calculate the potential energy surfaces for the Ar...CI 2 complex in the states which correlate with the X0gQS" +) and B0 + (31I) states of the CI 2 fragment. Accurate vibrational calculations performed directly with these surfaces reveal close agreement with spectroscopic data.

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