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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Jingheng Wu

3 results in Authors: Jingheng Wu

Biological and Medicinal Chemistry

The Novel Two-Metal-Ion Mechanism for Type II Topoisomerases by the QM/MM and Free Energy Study

Jingheng Wu, Hui Chao, Yong Shen

Version 2 posted 09 April 2019

665

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Theoretical and Computational Chemistry

Can We See the Energy Densities? II. Insights from Linear-Response Time-Dependent Density Functional Theory Calculations

Zheng Pei, junjie yang, Jingheng Deng, Yuezhi Mao, Qin Wu, Zhibo Yang, bin wang, Christine M. Aikens, Wanzhen Liang, Yihan Shao

Version 1 posted 24 August 2020

548

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Theoretical and Computational Chemistry

Can We See the Energy Densities? I. Insights from Real-Time Time-Dependent Density Functional Theory Simulations

junjie yang, Zheng Pei, Jingheng Deng, Qin Wu, Yuezhi Mao, Zhibo Yang, bin wang, Christine M. Aikens, Wanzhen Liang, Yihan Shao

Version 1 posted 24 August 2020

429

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1

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