Bonding properties of a superatom system with high-Z elements: insights from energy decomposition analysis
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DOI: 10.1039/d0ra01644f
Abstract: Superatoms with high-Z elements have novel physicochemical properties, and a comprehensive and thorough view of their bonding properties plays a crucial role in the design of superatoms. Now, energy decomposition analysis shows increasingly prominent performance… read more here.
Keywords: high elements; bonding properties; energy decomposition; energy ... See more keywords