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 A dual-level ab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O CH2O + CH3. 218-226 2004 25 Journal of Computational Chemistry 2 http://dx.doi.org/10.1002/jcc.10373 db/journals/jcc/jcc25.html#ZhangZL04