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增强QM/MM方法研究的植物双质子转移过程中的同位素效应
JoVE Journal
Chemistry
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JoVE Journal Chemistry
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
DOI:

05:51 min

July 19, 2019

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Chapters

  • 00:04Title
  • 01:17Pre-sits and Opt-sits
  • 02:36Running Production Simulations and Data Analysis
  • 04:08Results: Isotopic Effect on Double Transfer Process in Porphycene
  • 04:48Conclusion

Summary

Automatic Translation

本文提出了一种使用增强QM/MM方法研究双质子转移过程对双质子转移过程的同位素效应的协议。

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