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強化されたQM/MM法によるポルフィセンの二重陽子転写過程における同位体効果
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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
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強化されたQM/MM法を用いて、ポルフィセンにおける二重陽子転写プロセスに対する同位体効果を調べたプロトコルを紹介する。
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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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