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Updated: Jun 3, 2025

Atom Transfer Radical Polymerization of Functionalized Vinyl Monomers Using Perylene as a Visible Light Photocatalyst
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用于反应障碍预测的理论和机器学习模型:烯酸和甲烯酸基的激素反应

Makito Takagi1, Tomomi Shimazaki1, Osamu Kobayashi1

  • 1Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027, Kanagawa, Japan. mtakagi@yokohama-cu.ac.jp.

Physical chemistry chemical physics : PCCP
|January 13, 2025
PubMed
概括

我们开发了理论和机器学习模型来预测烯酸和甲烯酸基反应的反应障碍. 这些方法,包括密度函数理论和随机森林,通过实现更快的预测来加速材料的发展.

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