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

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

Yue Zhang, Shaowen Zhang, Qian Shu Li
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Volume:
25
Year:
2004
Language:
english
Pages:
9
DOI:
10.1002/jcc.10373
File:
PDF, 127 KB
english, 2004
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