【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
应助达人
【七月征文】不一YOUNG实验“猿”
报名开启：ICS2024第十三届光谱网络会议！
巡检超百家 丹纳赫集团参与第四届客户关怀季
推荐收藏！盘点中药材及饮片检测解决方案
