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Journal of Computational Chemistry|April 7, 2011
Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60 systemsYin-Feng Wang, Wei Chen, Guang-Tao Yu, et al.The Journal of Physical Chemistry. A|November 4, 2008
Reaction mechanism of HCN+ + C2H4: a theoretical studyYan Li, Hui-Ling Liu, Xu-Ri Huang, et al.The Journal of Physical Chemistry. A|April 28, 2006
Direct dynamics study on hydrogen abstraction reaction of CF3CF2CH2OH with OH radicalYing Wang, Jing-Yao Liu, Ze-Sheng Li, et al.Biochemical and Biophysical Research Communications|November 9, 2004
Homology modeling and S(N)2 displacement reaction of fluoroacetate dehalogenase from Burkholderia sp. FA1Yuan Zhang, Ze-Sheng Li, Jia Yan Wu, et al.Inorganic Chemistry|March 4, 2008
Theoretical study on (Al2O3)n (n = 1-10 and 30) fullerenes and H2 adsorption propertiesJiao Sun, Wen-Cai Lu, Wei Zhang, et al.Journal of Computational Chemistry|September 13, 2007
Theoretical elucidation of the rhodium-catalyzed [4 + 2] annulation reactionsCai-Yun Geng, Ji-Lai Li, Xu-Ri Huang, et al.The Journal of Physical Chemistry. A|March 6, 2008
Theoretical study of the reaction mechanism of HCN+ and CH4 of relevance to Titan's ion chemistryYan Li, Hui-ling Liu, Xu-ri Huang, et al.The Journal of Physical Chemistry. A|August 13, 2008
Theoretical study of HCN(+) + C2H2 reactionYan Li, Hui-ling Liu, Xu-ri Huang, et al.Journal of Computational Chemistry|September 6, 2002
Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4)Yang Wu, Yi-Hong Ding, Jing-Fa Xiao, et al.The Journal of Physical Chemistry. A|August 20, 2008
A study of the hydrogen abstraction reactions of C2H radical with CH3CN, C2H5CN, and C3H7CN by dual-level generalized transition state theoryZeng-Xia Zhao, Jing-Yao Liu, Li Wang, et al.Pageof 17