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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 90, 1997 - Issue 5
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Original Articles

Isotropic and anisotropic triple-dipole dispersion energy coefficients for three-body interactions involving He, Ne, Ar, Kr, Xe, H2, N2, CO, O2 and NO

Pages 713-720 | Published online: 03 Dec 2010
 

Abstract

Reliable results are reported for the various triple-dipole dispersion energy coefficients needed to evaluate the (exact) triple-dipole dispersion energy for all three-body interactions involving He, Ne, Ar, Kr, Xe, H2, N2, CO, O2 and NO, and at least one molecule. A total of 645 unique coefficients, corresponding to 185 unique interactions, are considered.

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