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Journal of Molecular Modeling|March 2, 2011
The influence of tether number and location on the self-assembly of polymer-tethered nanorodsLi Zhao, Xiang-Gui Xue, Zhong-Yuan Lu, et al.
The Journal of Chemical Physics|February 26, 2009
Molecular dynamics simulations on crystallization of polyethylene/fullerene nanocompositesHua Yang, Xiao Jun Zhao, Ze Sheng Li, et al.
Journal of Molecular Modeling|May 29, 2010
Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimerMing-Hui Li, Quan Luo, Xiang-Gui Xue, et al.
Physical Chemistry Chemical Physics : PCCP|December 10, 2020
Theoretical study on the photochemistry of furoylazides: Curtius rearrangement and subsequent reactionsJian Li, Meng-Kai Liu, Quan-Song Li, et al.
The Journal of Physical Chemistry Letters|January 20, 2022
Theoretical Study of Non-Fullerene Acceptors Using End-Capped Groups with Different Electron-Withdrawing Abilities toward Efficient Organic Solar CellsJie Yang, Wei-Lu Ding, Quan-Song Li, et al.
Journal of Computational Chemistry|September 10, 2008
Theoretical studies of the reactions of CF3CHCLOCHF2/CF3CHFOCHF2 with OH radical and Cl atom and their product radicals with OHLei Yang, Jing-Yao Liu, Su-Qin Wan, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2016
Mixed Ge/Pb perovskite light absorbers with an ascendant efficiency explored from theoretical viewPing-Ping Sun, Quan-Song Li, Shuai Feng, et al.
The Journal of Physical Chemistry. A|December 8, 2005
DFT and ab initio dual-level direct dynamics studies on the reactions of fluorine atom with HOCl and HOBrLi Wang, Jing-Yao Liu, Ze-Sheng Li, et al.
The Journal of Physical Chemistry. A|February 17, 2006
Theoretical mechanistic study on the radical-radical reaction of ketenyl with nitrogen dioxideJia-Xu Zhang, Ze-Sheng Li, Jing-Yao Liu, et al.
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