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ChemGraph-XANES: An Agentic Framework for XANES Simulation and Curation
用AI代理自动完成XANES谱模拟与数据整理，材料表征从此告别手动调参
arXiv:2604.16205v2 Announce Type: replace-cross Abstract: Computational X-ray absorption near-edge structure (XANES) is widely used to interpret local…