Theoretical Insights into the Geometrical Evolution, Photoelectron Spectra, and Vibrational Properties of YGen– (n = 6–20) Anions: From Y-Linked to Y-Encapsulated Structures
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DOI: 10.1021/acsomega.2c03983
Abstract: The structural evolution behavior of germanium anionic clusters doped with the rare-earth metal yttrium, YGen– (n = 6–20), has been investigated using a mPW2PLYP density functional scheme and an ABCluster structure searching technique. The results… read more here.
Keywords: photoelectron spectra; evolution photoelectron; theoretical insights; geometrical evolution ... See more keywords