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DOI :
10.3791/60040-v
July 19th, 2019
Chapters
0:04
Title
1:17
Pre-sits and Opt-sits
2:36
Running Production Simulations and Data Analysis
4:08
Results: Isotopic Effect on Double Transfer Process in Porphycene
4:48
Conclusion
포르피센에서 이중 양성자 전달 과정에 대한 동위원소 효과를 조사하기 위해 향상된 QM/MM 방법을 사용하는 프로토콜이 여기에 제시된다.
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