Electron density topology in Caii-Cuii alanine hydroximate metallacrowns: crystal invariom vs DFT calculation

Roman Rumyantcev,Grigory Yu. Zhigulin,Galina S. Zabrodina,Marina A. Katkova,Sergey Yu. Ketkov,Georgy K. Fukin

MENDELEEV COMMUNICATIONS（2023）

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摘要

The first insight into the nature of intramolecular interactions in the Caii-Cuii alanine hydroximate metallacrowns is provided on the basis of the invariom refinement and DFT calculations.

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关键词

caii–cuii alanine,metallacrowns,crystal invariom

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