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Royal Society of Chemistry, Physical Chemistry Chemical Physics

DOI: 10.1039/c5cp06199g

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Direct Calculation of the X-ray Structure Factor of Ionic Liquids

Journal article published in 2016 by Hongjun Liu ORCID, Stephen J. Paddison ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

A conceptually simple and computationally efficient direct method to calculate the total X-ray structure factor of ionic liquids from molecular simulations is advocated to be complementary to the popular Fourier transform (FT) method.