2002•Journal of Molecular Structure THEOCHEMRequires access

Quantum chemical study on the reaction mechanism for the C2H3 radical with O2(a1Δg)

Laicai Li, Ping Deng, Xin Wang, Anmin Tian

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Key concepts: Chemistry, Reaction mechanism, Potential energy surface, Standard enthalpy of formation, Ab initio, Quantum chemical, Hydroxyl radical, Computational chemistry

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Quantum chemical study on the reaction mechanism for the C2H3 radical with O2(a1Δg) — Research Paper | ScholarLens