主题：【悬赏帖】求助文献5篇

【序号】：1
【作者】：CuiyingJian
【题名】：Structural evolutions of small aromatic mixtures under extreme temperature conditions: Insights from ReaxFF molecular dynamics investigations
【期刊】；Carbon
【全文链接】：https://www.sciencedirect.com/science/article/abs/pii/S0008622319308565?via%3Dihub

【序号】：2
【作者】：Guan Zhang
【题名】：Multiple Objective NSGA-II-Based Optimization Program and Its Application in Reactive Force Field for 2,4,6-Trinitrotoluene Diffusion in the Aqueous Phase
【期刊】；J. Phys. Chem. C 2019, 123, 32, 19962
【全文链接】：https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05036

【序号】：3
【作者】：Ganna Shchygol
【题名】：ReaxFF Parameter Optimization with Monte-Carlo and Evolutionary Algorithms: Guidelines and Insights
【期刊】；J. Chem. Theory Comput
【全文链接】：https://pubs.acs.org/doi/10.1021/acs.jctc.9b00769

【序号】：4
【作者】：Yiwen Xiao
【题名】：Reaction Mechanism of Embedding Oxidizing Small Molecules in Energetic Materials to Improve the Energy by Reactive Molecular Dynamics Simulations
【期刊】；J. Phys. Chem. C 2019, 123, 48, 29144
【全文链接】：https://pubs.acs.org/doi/10.1021/acs.jpcc.9b09070

【序号】：5
【作者】：XiaonaHuang
【题名】：Reaction violence difference revealed by reactive molecular dynamics: Comparison of the thermal decomposition of hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine and benzotrifuroxan
【期刊】；Chemical Physics Letters Volume 739, January 2020, 136861
【全文链接】：https://www.sciencedirect.com/science/article/pii/S0009261419308425?via%3Dihub