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Updated: May 22, 2025

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修改后的振动扰动理论应用于对线式H + H2和D + H2反应

Sameernandan Upadhyayula1, Chiara Aieta2, Michele Ceotto2

  • 1Chemical and Biological Physics Department Weizmann Institute of Science, Rehovot 76100, Israel.

The Journal of chemical physics
|March 17, 2025
PubMed
概括

本研究提出了修改的振动扰动理论 (mVPT2和mYF) 用于计算多维系统中的反应速率. 这些先进的方法为各种温度的热道速率提供了更高的准确性.

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