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Journal of Computational Chemistry|June 6, 2009
Theoretical study and rate constants calculation for the reactions of SiH3 radical with SiH3CH3 and SiH2(CH3)2Hui Zhang, Gui-Ling Zhang, Jing-Yao Liu, et al.Journal of Colloid and Interface Science|December 5, 2012
Adsorption of water on NaNO3(001) surface from first-principles calculationsJin-Hua Luo, Ai-Min Hu, Xiao-Lin Wang, et al.Physical Chemistry Chemical Physics : PCCP|September 10, 2014
Theoretical investigation on structural and electronic properties of organic dye C258 on TiO₂(101) surface in dye-sensitized solar cellsPing-Ping Sun, Quan-Song Li, Li-Na Yang, et al.Chemsuschem|December 30, 2017
N-Annulated Perylene-Based Hole Transporters for Perovskite Solar Cells: The Significant Influence of Lateral SubstituentsYang Li, Rui Zhu, Junting Wang, et al.The Journal of Chemical Physics|January 18, 2006
The dependence of nanostructures on the molecule rigidity of A2(B4)2-type miktoarm block copolymerHu-Jun Qian, Li-Jun Chen, Zhong-Yuan Lu, et al.Journal of Molecular Modeling|December 17, 2008
Understanding structural/functional properties of amidase from Rhodococcus erythropolis by computational approachesWei-Wei Han, Ying Wang, Yi-Han Zhou, et al.Journal of Computational Chemistry|February 8, 2007
Theoretical study on the Br + CH3SCH3 reactionHui Zhang, Gui-Ling Zhang, Li Wang, et al.Journal of Computational Chemistry|July 13, 2010
Theoretical studies on the reactions CH3SCH3 with OH, CF3, and CH3 radicalsHui Zhang, Gui-Ling Zhang, Jing-Yao Liu, et al.The Journal of Physical Chemistry. A|April 5, 2008
Direct dynamics study of the hydrogen-abstraction reaction of 1,1,2,2,3-fluorinated propane with the hydroxyl radicalHong Gao, Ying Wang, Jing-Yao Liu, et al.The Journal of Physical Chemistry. B|May 5, 2007
Calculating the equation of state parameters and predicting the spinodal curve of isotactic polypropylene/poly(ethylene-co-octene) blend by molecular dynamics simulations combined with Sanchez-Lacombe lattice fluid theoryZhan-Wei Li, Zhong-Yuan Lu, Zhao-Yan Sun, et al.Pageof 14