Time-dependent density functional theory study of the X-ray emission spectroscopy of amino acids and proteins
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DOI: 10.1016/j.cplett.2020.137860
Abstract: Abstract The non-resonant X-ray emission spectroscopy of amino acids and a dipeptide have been studied using time-dependent density functional theory (TDDFT) calculations at the nitrogen and oxygen K-edges. Comparison with higher level calculations and experimental… read more here.
Keywords: spectroscopy amino; amino acids; emission spectroscopy; time dependent ... See more keywords