"A dual-level ab initio and hybrid density functional theory dynamics study ..."

Yue Zhang, Shaowen Zhang, Qian Shu Li (2004)

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DOI: 10.1002/JCC.10373

access: closed

type: Journal Article

metadata version: 2020-04-01

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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. J. Comput. Chem. 25(2): 218-226 (2004)

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