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The Journal of Physical Chemistry. B|July 21, 2006
Stability of two-dimensional tessellation ice on the hydroxylated beta-cristobalite (100) surfaceZhong-Yuan Lu, Zhao-Yan Sun, Ze-Sheng Li, et al.Langmuir : the ACS Journal of Surfaces and Colloids|January 11, 2007
Molecular dynamics simulation study on controlling the adsorption behavior of polyethylene by fine tuning the surface nanodecoration of graphiteXiao-Lin Wang, Zhong-Yuan Lu, Ze-Sheng Li, et al.Journal of Computational Chemistry|September 18, 2004
Theoretical study on reaction mechanism of the fluoromethylene radical with nitrogen dioxideJia-Xu Zhang, Jing-Yao Liu, Ze-Sheng Li, et al.The Journal of Chemical Physics|September 11, 2007
Molecular dynamics simulation of polyethylene on single wall carbon nanotubeHua Yang, Yong Chen, Yu Liu, et al.Nanoscale|December 18, 2015
Theoretical insights into a potential lead-free hybrid perovskite: substituting Pb(2+) with Ge(2.)Ping-Ping Sun, Quan-Song Li, Li-Na Yang, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 29, 2014
Iodinated Al(III)-based phthalocyanines are promising sensitizers for dye-sensitized solar cells; a theoretical comparison between Zn(II), Mg(II), and Al(III)-based phthalocyanine sensitizersLi-Na Yang, Zhu-Zhu Sun, Shi-Lu Chen, et al.Physical Chemistry Chemical Physics : PCCP|April 4, 2019
Theoretical study on the regioselective photoisomerization of asymmetric N,C-chelate organoboron compoundsFang-Ping Li, Hong-Yang Zhu, Quan-Song Li, et al.Journal of Computational Chemistry|April 7, 2005
Theoretical study on the reaction mechanism of the methyl radical with nitrogen oxidesJia-Xu Zhang, Jing-Yao Liu, Ze-Sheng Li, et al.The Journal of Physical Chemistry. A|July 13, 2006
Direct ab initio dynamics calculation of the reaction rates of CH3OCl with OHHong-qing He, Jing-yao Liu, Ze-sheng Li, et al.The Journal of Physical Chemistry. B|July 21, 2006
Molecular dynamics simulation study on adsorption and diffusion processes of a hydrophilic chain on a hydrophobic surfaceXiao-Lin Wang, Zhong-Yuan Lu, Ze-Sheng Li, et al.Pageof 14