Xiaoxia Li
5PUBLICATIONS
5CO-AUTHORS
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Publications (5)
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|Jun 28, 2024
Automated Skeleton Network Generation for ReaxFF Molecular Dynamics Simulations of Hydrocarbon Fuel Pyrolysis and Oxidation via a Rate-Based Algorithm.Yuanyuan Xiao, Mo Zheng, Xiaoxia Li
|Jan 30, 2024
Generating a skeleton reaction network for reactions of large-scale ReaxFF MD pyrolysis simulations based on a machine learning predicted reaction class.Shanwen Yang, Xiaoxia Li, Mo Zheng
|Jan 23, 2020
Decomposition mechanism scenarios of CL-20 co-crystals revealed by ReaxFF molecular dynamics: similarities and differences.Chunxing Ren, Han Liu, Xiaoxia Li
|Feb 16, 2019
Chemical Insight on Decreased Sensitivity of CL-20/TNT Cocrystal Revealed by ReaxFF MD Simulations.Chunxing Ren, Xiaoxia Li, Li Guo
|Aug 26, 2017
Initial Reactivity of Linkages and Monomer Rings in Lignin Pyrolysis Revealed by ReaxFF Molecular Dynamics.Tingting Zhang, Xiaoxia Li, Li Guo
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