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Data of computational study on the reaction between HO2 and n-propyl peroxy radical

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DataCite Commons2025-02-02 更新2025-04-16 收录
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Computational data on the reaction mechanism and kinetics of the reaction between HO2 and n-C3H7O2 performed at the CCSD(T)/aug-cc-pVDZ//B3LYP/6-311G(d,p) level of theory.

提供机构:
Science Data Bank
创建时间:
2022-10-31
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