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Journal of Computational Chemistry|October 9, 2002
DFT and ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH(4-n)F(n) (n = 1-3)Jing-Fa Xiao, Ze-Sheng Li, Jing-Yao Liu, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 10, 2006
Dissipative particle dynamics study on the morphology changes of diblock copolymer lamellar microdomains due to steady shearWei Liu, Hu-Jun Qian, Zhong-Yuan Lu, et al.Journal of Computational Chemistry|March 13, 2003
Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radicalJia-Yan Wu, Jing-Yao Liu, Ze-Sheng Li, et al.The Journal of Physical Chemistry. A|July 15, 2006
Theoretical study on stability and properties of NC2O isomersGuang-Tao Yu, Yi-Hong Ding, Xu-Ri Huang, et al.The Journal of Chemical Physics|April 20, 2005
The effects of Lowe-Andersen temperature controlling method on the polymer properties in mesoscopic simulationsLi-Jun Chen, Zhong-Yuan Lu, Hu-Jun Qian, et al.The Journal of Chemical Physics|May 28, 2005
Dissipative particle dynamics study on the interfaces in incompatible A/B homopolymer blends and with their block copolymersHu-Jun Qian, Zhong-Yuan Lu, Li-Jun Chen, et al.The Journal of Physical Chemistry. A|January 14, 2012
Mechanism insights of ethane C-H bond activations by bare [Fe(III)═O]+: explicit electronic structure analysisXiao-Li Sun, Xu-Ri Huang, Ji-Lai Li, et al.Nanotechnology|August 6, 2011
Multi-modal mesoporous TiO(2)-ZrO(2) composites with high photocatalytic activity and hydrophilicityWei Zhou, Kesong Liu, Honggang Fu, et al.Journal of Computational Chemistry|March 10, 2006
Theoretical study on the [Si, C, N, O] potential energy surfaceGuang-Tao Yu, Xu-Ri Huang, Yi-Hong Ding, et al.The Journal of Chemical Physics|November 6, 2004
Characteristic of structures and pi-hydrogen bond of dimers C2H4-nFn-HF (n=0,1,2)Rui-Yan Li, Zhi-Ru Li, Di Wu, et al.Pageof 17