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[会议论文] 作者：Dong-Qing Wei,Guang-Fu Ji,
来源：第十三届全国量子化学会议 年份：2017
The Car-Parrinello molecular dynamics simulations were employed to investigate thermal decomposition of the solid nitromethane.It is found that it undergoes che...
From intermolecular interaction to structures and properties of cocrystal explosive CL-20/TNT:Molecu
[会议论文] 作者：Xiu-Qing Zhang,Guang-Fu Ji,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
By Molecular Dynamic Simulation,we conducted a thorough study on a novel cocrystal explosive 1∶1 CL-20: TNT and gained insight into the interaction-structure–property interrelationship....
A new crystal structure and physical properties of technetium nitride predicted from first principle
[会议论文] 作者：Yan-Fei Hu,Guang-Fu Ji,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Using the first-principles particle swarm optimization algorithm for crystal structural prediction,we have predicted a new crystal structure of TcN with P42/m phase....
[期刊论文] 作者：Mei Tang,Lei Liu,Yan Cheng,Guang-Fu Ji,
来源：黑龙江科技信息 年份：2015
本文通过对荣华二采区10...
FT-IR, XPS, and DFT Study of Adsorption Mechanism of Sodium Acetohydroxamate onto Goethite or Hemati
[期刊论文] 作者：Meng Wang,Hui-ping Hu,Qi-yuan Chen,Guang-fu Ji,
来源：黑龙江科技信息 年份：2016
本文通过对荣华二采区10...
[期刊论文] 作者：Hong-ling Cui,Guang-fu Ji,Xiang-rong Chen,Dong-qing Wei,
来源：黑龙江科技信息 年份：2013
本文通过对荣华二采区10...
,Phase transition, elastic and electronic properties of topological insulator Sb2Te3 under pressure:
[期刊论文] 作者：Qing Lu,Huai-Yong Zhang,Yan Cheng,Xiang-Rong Chen,Guang-Fu Ji,
来源：中国物理B（英文版） 年份：2016
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[会议论文] 作者：Min Liu,Zhen-Long Lv,Yan Cheng,Guang-Fu Ji,Min Gong,
来源：第十七届全国原子与分子物理学术会议 年份：2013
Orthovanadates AVO4 (A is a trivalent rare earth element) have recently emerged as promising optical materials for birefringent solid-state laser applications,...
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