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Updated: Jun 4, 2025

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通过机器学习模型预测OH/HO2和基之间的抽象反应的速率常数

Min Xia1,2, Yu Zhang2, Hongwei Song2

  • 1College of Physical Science and Technology, Central China Normal University, Wuhan 430079, China.

The journal of physical chemistry. A
|December 19, 2024
PubMed
概括

机器学习准确地预测了抽象反应的燃料氧化率常数. XGB-FNN模型显示了强度,区分了不同基位点的反应性.

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