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X-ray natural circular dichroism (XNCD) spectra of alanine and serine were calculated at the C, N, and O K-edges within the framework of density functional theory. Basis set and gauge dependence of d-alanine were examined as a test case. XNCD spectra of crystalline d-alanine and l-serine were obtained using cluster models of increasing size. The absolute intensities of the XNCD spectra were found...
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