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ARTICLE

The Algorithm of Chemical Species Analysis for Ab Intio Molecular Dynamics Simulations and Its Application

Zhiyi Han1, Yugai Huang2,3, Xiaoqiang Xie1, Ying Mei1, Bin Gu1,*

Jiangsu Key Laboratory for Optoelectronic Detection of Atmosphere and Ocean, Nanjing University of Information Science and Technology, Nanjing, 210044, China.
Department of Chemistry, Jiangsu Second Normal University, Nanjing, 210013, China.
Queen’s University, Belfast, Northern Ireland, Belfast BT7 1NN, United Kingdom.

* Corresponding Author: Bin Gu. Email: email.

TSP_CMC_2181.pdf

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