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IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra
用大模型代理模拟专家思维，从红外光谱精准推断化学结构，AI+化学新突破。
arXiv:2508.16112v2 Announce Type: replace Abstract: Spectral analysis provides crucial clues for the elucidation of unknown materials. Among various t…