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Issue 12, 1989
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Variation of the second hyperpolarisability of (HF)n induced by changes in the structure. A comparative study

Abstract

The second hyperpolarisability, γ, of (HF)n, where n= 6, 8, and the interaction hyperpolarisability, Δγ, of (HF)2 are computed by employing ab initio and semiempirical techniques. The results demonstrate the cooperative character of the intermolecular interactions between the H-bonded hydrogen fluoride molecules and their considerable effect on the second hyperpolarisability. The results also show that remarkable variations in Δγ and γ may be induced by a change in the shape of the HF cluster.

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Article type: Paper
DOI: 10.1039/F29898501885
Citation: J. Chem. Soc., Faraday Trans. 2, 1989,85, 1885-1894
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    Variation of the second hyperpolarisability of (HF)n induced by changes in the structure. A comparative study

    M. G. Papadopoulos and J. Waite, J. Chem. Soc., Faraday Trans. 2, 1989, 85, 1885
    DOI: 10.1039/F29898501885

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