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How to calculate the theoretical X-ray scattering for a polymer melt

I checked the paper. It describes how figure 9 was computed by referring the reader to older papers: the spherically symmetric powder pattern scatter- ing intensity was calculated from the atom-atom ...
marcin's user avatar
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2 votes

How to reproduce 2D small-angle X-ray scattering (SAXS) interferogram of water via ab-initio MD methods?

In short, there is nothing wrong with the spike that you have obtained. The low-wavevector spike is a general feature of small-angle diffraction. For example, see Figure 1 of this paper where the ...
Andrey Poletayev's user avatar

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