Physical genetics: Cross-breeding density functional theory and X-ray photoelectron spectroscopy to rationalize chemical shifts of binding energies in solid compounds
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DOI: 10.1016/j.solidstatesciences.2020.106359
Abstract: Abstract Like other spectroscopic methods XPS and AES show characteristic chemical shifts depending on the elemental matrix of a compound, however, a satisfactory rationalization of the variance of such values is often difficult. By an… read more here.
Keywords: chemical shifts; theory; physical genetics; genetics ... See more keywords