摘要: 用ab initio方法构建了该体系的偏分势能面, 并用其研究了该体系中散射共振态的形成机理, 估算了第一共振态寿命.
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路熙,王华阳,蔡政亭,冯大诚 . HO+CH4→H2O+CH3反应的偏分势能面与散射共振态理论研究. 高等学校化学学报, doi: .
LU Xi1, WANG Hua-Yang2, CAI Zheng-Ting1*, FENG Da-Cheng1. Theoretical Study on the Partial Potential Energy Surface and Resonance State for HO+CH4→H2O+CH3 System. Chem. J. Chinese Universities, doi: .