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Updated: Jun 15, 2025

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Real-space energy decomposition analysis method for qualitative and quantitative interpretations

Yueyang Zhang1, Xuewei Xiong1, Wei Wu1

  • 1The State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China.

The Journal of Chemical Physics
|August 22, 2024
PubMed

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