Results: Isotopic Effect on Double Transfer Process in Porphycene
4:48
Conclusion
Transkript
A Enhanced QM/MM Method overcomes simple issues in normal QM/MM simulation. The Six QM/MM Method accelerates select assembly for the QM region, and can capture the chemical reaction pathways result in defining reaction coordinate. With this protoc
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A protocol that uses enhanced QM/MM method to investigate the isotopic effect on the double proton transfer process in porphycene is presented here.