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Gelişmiş QM/MM yöntemi ile Incelenerek Porphycene çift proton transfer sürecinde izotopik etkisi
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

Burada porphycene çift proton transfer sürecinde izotopik etkisini araştırmak için gelişmiş QM/MM yöntemi kullanan bir protokol sunulmuştur.

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