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Journal of Molecular Graphics & Modelling|August 22, 2019
Uncovering the action of ethanol controlled crystallization of 3,4-bis(3-nitrofurazan-4-yl)furoxan crystal: A molecular dynamics studyLiang Song, Feng-Qi Zhao, Si-Yu Xu, et al.Journal of Molecular Modeling|March 3, 2021
Theoretical research about nonmetallic energetic salts with pentazolate anionHao-Ran Wang, Chong Zhang, Bing-Cheng Hu, et al.Journal of Molecular Modeling|December 4, 2019
Molecular Modeling on Morphology of 3,4-Bis(3-nitrofurazan-4-yl)furoxan Crystals in Dichloroethane or Benzene Mixture SolventsLiang Song, Feng-Qi Zhao, Si-Yu Xu, et al.Journal of Molecular Modeling|July 23, 2020
Crystal morphology prediction of 2,2',4,4',6,6'-hexanitrostilbene (HNS) by molecular scale simulationLiang Song, Feng-Qi Zhao, Si-Yu Xu, et al.Physical Chemistry Chemical Physics : PCCP|May 14, 2021
Encapsulating aluminum nanoparticles into carbon nanotubes for combustion: a molecular dynamics studyLiang Song, Feng-Qi Zhao, Si-Yu Xu, et al.RSC Advances|May 2, 2022
Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2',2'',4,4',4'',6,6',6''-nonanitro-1,1':3',1''-terphenyl (NONA)Liang Song, Feng-Qi Zhao, Si-Yu Xu, et al.The Journal of Physical Chemistry. A|November 9, 2013
Adsorption of carbon dioxide on Al12X clusters studied by density functional theory: effect of charge and dopingJian-Ying Zhao, Yu Zhang, Feng-Qi Zhao, et al.Journal of Molecular Modeling|September 6, 2019
Theoretical study of nitrogen cation modified aromatics containing thiophene as π-linker for p-type photosensitizersZhi-Dan Sun, Jiang-Shan Zhao, Zheng Mei, et al.Journal of Molecular Modeling|October 4, 2018
Theoretical design of novel energetic salts derived from bicyclo-HMXCong Zhang, Feng-Qi Zhao, Si-Yu Xu, et al.Chemistry, an Asian Journal|November 29, 2014
Access to novel graphene-like sheet of hydroboron: first-principles investigationYang-Yang Wu, Feng-Qi Zhao, Si-Yu Xu, et al.Pageof 7