Theoretical Study of Isoprene Peroxy Radical 1-5 Hydrogen Shift Reactions that Regenerate HOx Radicals and Produce Highly Oxidized Molecules

The attached extensive computational chemistry dataset involves detailed electronic structure (density functional theory - DFT) and kinetic calculation (master...附件所附的大型计算化学数据集涵盖详尽的电子结构（密度泛函理论 (density functional theory)，DFT）计算与动力学计算（master……）