Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales using Kinetic Models: Applications to Hydrocarbon Pyrolysis

These are the Molecular Dynamics Simulations used to train and test the models in the related paper.本数据集为相关论文中用于训练与测试模型的分子动力学模拟（Molecular Dynamics Simulations）。