Articles with "structural preference" as a keyword



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Tuning structural preference of negatively charged B16 by ionically or covalently interacting with alkali and coinage metals

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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−… read more here.

Keywords: negatively charged; structural preference; charged b16; b16 ionically ... See more keywords
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Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means.

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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… read more here.

Keywords: structure; examination structural; a3r4cu5te10 structure; structural preference ... See more keywords