Anharmonic Thermal Motion Modelling in the Experimental XRD Charge Density Determination of 1-Methyluracil at T = 23 K
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DOI: 10.3390/molecules26113075
Abstract: The experimental electron density distribution (EDD) of 1-methyluracil (1-MUR) was obtained by single crystal X-ray diffraction (XRD) experiments at 23 K. Four different structural models fitting an extensive set of XRD data to a resolution… read more here.
Keywords: modelling experimental; thermal motion; density; anharmonic thermal ... See more keywords