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Journal of Hazardous Materials|July 10, 2007
Strain energies of cubane derivatives with different substituent groupsXiao-Wei Fan, Xue-Hai Ju, Qi-Ying Xia, et al.The Journal of Physical Chemistry. A|February 22, 2013
DFT studies on doping effect of Al12X: adsorption and dissociation of H2O on Al12X clustersJian-Ying Zhao, Feng-Qi Zhao, Si-Yu Xu, et al.Journal of Molecular Modeling|August 10, 2013
A DFT study of adsorption and decomposition of hexahydro-1,3,5-trinitro-1,3,5-triazine on Mg(0001) surfaceCai-Chao Ye, Feng-Qi Zhao, Si-Yu Xu, et al.Journal of Molecular Modeling|January 12, 2013
DFT studies of the adsorption and dissociation of H₂O on the Al₁₃ cluster: origins of this reactivity and the mechanism for H₂ releaseJian-Ying Zhao, Feng-Qi Zhao, Hong-Xu Gao, et al.Molecules (Basel, Switzerland)|August 31, 2019
Effect of Nitrogen Cation as "Electron Trap" at π-Linker on Properties for p-Type Photosensitizers: DFT StudyZhi-Dan Sun, Jiang-Shan Zhao, Xue-Hai Ju, et al.The Journal of Chemical Physics|December 21, 2004
A density-functional theory investigation of 3-nitro-1,2,4-triazole-5-one dimers and crystalHe-Ming Xiao, Xue-Hai Ju, Li-Na Xu, et al.Journal of Molecular Modeling|November 13, 2023
Theoretical design and evaluation of efficient small donor molecules for organic solar cellsAdeel Mubarik, Faiza Shafiq, Hao-Ran Wang, et al.Journal of Molecular Graphics & Modelling|December 24, 2013
Theoretical study of the geometries and decomposition energies of CO₂ on Al₁₂X: doping effect of Al₁₂XJian-Ying Zhao, Feng-Qi Zhao, Si-Yu Xu, et al.Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences|June 15, 2010
Determination and pharmacokinetics of gastrodin in human plasma by HPLC coupled with photodiode array detectorXue Hai Ju, Ying Shi, Na Liu, et al.Journal of Molecular Modeling|February 26, 2013
Adsorption and decomposition mechanism of hexogen (RDX) on Al(111) surface by periodic DFT calculationsCai-Chao Ye, Feng-Qi Zhao, Si-Yu Xu, et al.Pageof 7