论文
Utilization of generalized energy-based fragmentation method on the study of hydrogen abstraction reactions of large methyl esters
期刊: Combustion and Flame 2018作者: Wei Li,Lidong Zhang,Xiaoqing You,Yawei Chi
DOI:10.1016/j.combustflame.2017.12.021
An adaptive distance-based group contribution method for thermodynamic property prediction
A new distance-based group contribution method that describes intramolecular interactions systematically is developed to calculate thermodynamic properties accurately and efficiently.
期刊: Physical Chemistry Chemical Physics 2016作者: Xiaoqing You,Xin He,Bin Yang,Zhi Wang,Hong-Bo Zhang,Yawei Chi,Shuang Li,Tanjin He
DOI:10.1039/c6cp02929a
Theoretical Analysis of the Effect of C═C Double Bonds on the Low-Temperature Reactivity of Alkenylperoxy Radicals
期刊: The Journal of Physical Chemistry A 2016作者: Tanjin He,Yawei Chi,Xiaoqing You
DOI:10.1021/acs.jpca.6b05399
