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Published in 2021 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2021.111315
Abstract: Abstract The planar ribbon form is the lowest-energy structure of the neutral and negatively charged B16 clusters, especially planar B162− with ten delocalized π electrons is viewed as an all-boron naphthalene, whereas the doped B16TM−…
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Keywords:
negatively charged;
structural preference;
charged b16;
b16 ionically ... See more keywords
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Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c01002
Abstract: In the quest for materials addressing the grand challenges of the future, there is a critical need for a broad understanding of their electronic structures because the knowledge of the electronic structure of a given…
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Keywords:
structure;
examination structural;
a3r4cu5te10 structure;
structural preference ... See more keywords