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The Journal of Chemical Physics|December 3, 2008
The photodissociation mechanisms of acrylonitrile: Ab initio calculations on reaction channels and surface intersectionsWei-Na Du, Cheng Luo, Ze-Sheng LiThe Journal of Physical Chemistry Letters|July 18, 2022
Atomistic Mechanism of Surface-Defect Passivation: Toward Stable and Efficient Perovskite Solar CellsWeiyi Zhang, Quan-Song Li, Ze-Sheng LiNanoscale|September 18, 2018
Nitrogen substitution improves the mobility and stability of electron transport materials for inverted perovskite solar cellsRui Zhu, Quan-Song Li, Ze-Sheng LiJournal of Computational Chemistry|September 6, 2007
Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3)Ying Wang, Jing-Yao Liu, Ze-Sheng LiNanoscale|August 22, 2020
End-capped group manipulation of indacenodithienothiophene-based non-fullerene small molecule acceptors for efficient organic solar cellsJie Yang, Quan-Song Li, Ze-Sheng LiPhysical Chemistry Chemical Physics : PCCP|August 16, 2016
A new understanding towards the reactivity of DNA peroxy radicalsShuang Zhao, Ru-Bo Zhang, Ze-Sheng LiThe Journal of Physical Chemistry. A|June 21, 2008
Theoretical studies of the reaction of hydroxyl radical with methyl acetateLei Yang, Jing-yao Liu, Ze-sheng LiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 1, 2013
Adsorption of water on an MgSO4 (100) surface: a first-principles investigationJin-Hua Luo, Yun-Hong Zhang, Ze-Sheng LiPhysical Chemistry Chemical Physics : PCCP|August 23, 2017
Novel benzodithiophene-based polymer acceptors for efficient organic solar cellsYan-Ling Wang, Quan-Song Li, Ze-Sheng LiPhysical Chemistry Chemical Physics : PCCP|August 20, 2016
Effects of water molecules on the chemical stability of MAGeI3 perovskite explored from a theoretical viewpointPing-Ping Sun, Wei-Jie Chi, Ze-Sheng LiPageof 14