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Journal / Chemistry / 향상된 QM/MM 방법으로 조사된 포르피센의 이중 양성자 이송 과정에서 동위원소…
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JoVE Journal Chemistry
향상된 QM/MM 방법으로 조사된 포르피센의 이중 양성자 이송 과정에서 동위원소 효과
Green and Low-cost Production of Thermally Stable and Carboxylated Cellulose Nanocrystals and Nanofibrils Using Highly Recyclable Dicarboxylic Acids
Journal (Chemistry)
Green and Low-cost Production of Thermally Stable and Carboxylated Cellulose Nanocrystals and Nanofibrils Using Highly Recyclable Dicarboxylic Acids
Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance
Journal (Chemistry)
Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance
 
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향상된 QM/MM 방법으로 조사된 포르피센의 이중 양성자 이송 과정에서 동위원소 효과

Article DOI: 10.3791/60040-v • 05:51 min • July 19th, 2019
July 19th, 2019 •
1,2, 3, 4
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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포르피센에서 이중 양성자 전달 과정에 대한 동위원소 효과를 조사하기 위해 향상된 QM/MM 방법을 사용하는 프로토콜이 여기에 제시된다.

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화학 문제 149 동위원소 효과 이중 양성자 전달 향상된 샘플링 QM/MM 선택적 통합 템퍼링 샘플링 자유 에너지 계산
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