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1Qingdao Institute for Theoretical and Computational Sciences, Institute of Frontier and Interdisciplinary Science, Shandong University, Qingdao, Shandong 266237, China.
这项研究使用密度函数理论 (DFT) 推进化学反应理论. 它探讨了基于密度的框架,交互和应用,强调了未来的方向,如机器学习集成以提高化学理解.
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Published on: January 5, 2018
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