Erratum: “Determination of accurate, mean bond lengths from radial distribution functions” [J. Chem. Phys. 146, 024506 (2017)]

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Determination of accurate, mean bond lengths from radial distribution functions.

The mean bond length d between a central atom and its nearest neighbors can be estimated from the position of the first peak in the radial distribution function g(r). However, as we demonstrate here, this estimate does not allow one to deduce temperature-induced changes in d. Instead, skewness has to be included into the analysis, which can be achieved, for example, via the skew normal distribu...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2020

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.5143846