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Isotopische Wirkung im doppelten Protonentransferprozess von Porphycen nach verbesserter QM/MM-Methode untersucht
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JoVE Journal Chemie
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopische Wirkung im doppelten Protonentransferprozess von Porphycen nach verbesserter QM/MM-Methode untersucht

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05:51 min

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July 19, 2019

DOI:

10.3791/60040-v

DOI:
10.3791/60040-v

•

05:51 min
July 19, 2019

•

1 Views
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1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences, 2University of Chinese Academy of Sciences, 3XtalPi Inc. (Shenzhen Jingtai Technology Co., Ltd.), 4Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering,Jiangsu University of Technology

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QM/MM MethodDouble Proton TransferIsotopic EffectPorphyceneReaction MechanismChemical ReactionOptimizationMolecular Dynamics

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Tu, Z., Yin, J., Xie, L. Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method. J. Vis. Exp. (149), e60040, doi:10.3791/60040 (2019).

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