,

Yucheng He1, Yan Huang1, Hengyu Xiao2

  • 1State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.

概括

本研究引入了一种新的机器学习模型,用于识别使用光谱学的短暂化学反应中间体. 零射击学习方法可以在没有先前数据的情况下在新的催化系统中进行准确的预测,从而推进反应机制研究.

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