Reliable isotropic dipole properties and dispersion energy coefficients for CCl4

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Abstract

Dipole oscillator strength distributions (DOSD) have been constructed for ground state CCl4molecule, by using constrained least-squares methods, experimental and mixture rule dipole oscillator strength data, and refractive index measurements. A recommended isotropic DOSD is used to evaluate a wide variety of dipole oscillator strength sums SK, logarithmic dipole sums LKand mean excitation energies IK. Pseudo-DOSDs have been constructed for CCl4molecule and these are used to calculate isotropic dipole-dipole dispersion energy coefficients C6for the interaction of CCl4with itself and with 45 other species, and the triple-dipole dispersion energy coefficients C9for (CCl4)3. © 2002 Elsevier Science B.V. All rights reserved.

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Kumar, A. (2002). Reliable isotropic dipole properties and dispersion energy coefficients for CCl4. Journal of Molecular Structure: THEOCHEM, 591(1–3), 91–99. https://doi.org/10.1039/JR9540004069

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