Computational Chemistry Data for "Synthesis and Hydrolysis of Atmospherically Relevant Monoterpene-Derived Organic Nitrates": 02-12-2021 and 03-01-2021
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The data describe density functional theory (DFT) calculations of the pH dependent reaction barriers for the hydrolysis of four different monoterpene nitrates. These...
本数据集描述了针对四种不同单萜硝酸酯水解反应的pH依赖反应能垒的密度泛函理论（DFT）计算结果。此类……
