Decoding Chemical Formula to Spatial Conformation: A Structural Study Targeting the [Au25(SR)19]0 Nanocluster

Chaoqiang Yan1, Yanshuang Li1, Endong Wang2,3

  • 1Department of Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China.

Summary

Determining the spatial structure of thiolated gold nanoclusters (AuNCs) is challenging. This study successfully predicted the structure of the [Au25(SR)19]0 cluster using a novel computational model, aiding in decoding AuNC chemical formulas.

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