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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:
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
Summary
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Ein Protokoll, das eine erweiterte QM/MM-Methode verwendet, um die isotopenische Wirkung auf den doppelten Protonentransferprozess bei Porphycen zu untersuchen, wird hier vorgestellt.
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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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