A dual-level ab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O CH2O + CH3 - researchr publication

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Yue Zhang, Shaowen Zhang, Qian Shu Li. A dual-level ab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O CH2O + CH3. Journal of Computational Chemistry, 25(2):218-226, 2004. [doi]

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