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山东大学 [8]
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期刊论文 [27]
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Chemical effect of NO on CH4 oxidation during combustion in O-2/NO environments
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 727, 页码: 59-65
作者:
Liu, Yalan
;
Zhang, Xuexiang
;
Ding, Junxia
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浏览/下载:65/0
  |  
提交时间:2019/06/20
Methane
Oxidation
Nitric oxide
Reactive molecular dynamics
Kinetic behavior
Molecular dynamics simulations of membrane properties affected by plasma ROS based on the GROMOS force field
期刊论文
BIOPHYSICAL CHEMISTRY, 2019, 卷号: 253
作者:
Hu, Yujia
;
Zhao, Tong
;
Zou, Liang
;
Wang, Xiaolong
;
Zhang, Yuantao
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  |  
浏览/下载:8/0
  |  
提交时间:2019/12/11
Cold atmospheric plasma
Sterilization
Reactive oxygen species
Cell
membrane
Molecular dynamics
Structure, Dynamics, and Mechanical Properties of Cross-Linked Calcium Aluminosilicate Hydrate: A Molecular Dynamics Study
期刊论文
ACS Sustainable Chemistry and Engineering, 2018, 卷号: 6, 期号: 7, 页码: 9403-9417
作者:
Yang, Jun
;
Hou, Dongshuai*
;
Ding, Qingjun
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  |  
浏览/下载:50/0
  |  
提交时间:2019/12/04
Low carbon footprint
Reactive molecular dynamics
Aluminosilicate chains polymerization
Reactivity
Uniaxial tension
Hydrolytic reaction
Thermal decomposition behaviour of polyethylene in oxygen-free and low oxygen content circumstances by reactive molecular dynamic simulation
期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 期号: 12, 页码: 954-964
作者:
Liao LJ(廖丽涓)
;
Meng CY(孟昶宇)
;
Huang CG(黄晨光)
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  |  
浏览/下载:24/0
  |  
提交时间:2018/07/17
Thermal Decomposition
Molecular Dynamics
Reactive Force Field
Polyethylene
Oxygen Content
Decomposition mechanism of the C5-PFK/CO2 gas mixture as an alternative gas for SF6
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2018, 卷号: 336
作者:
Zhang, Xiaoxing
;
Li, Yi
;
Tian, Shuangshuang
;
Xiao, Song
;
Chen, Dachang
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
C5F10O/CO2
Decomposition mechanism
Density functional theory
Reactive molecular dynamics
Molecular dynamics simulation of S. cerevisiae glucan destruction by plasma ROS based on ReaxFF
期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2018, 卷号: 51, 期号: 35
作者:
Cui, Jingxian
;
Zhao, Tong
;
Zou, Liang
;
Wang, Xiaolong
;
Zhang, Yuantao
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
atmospheric pressure non-equilibrium plasma
reactive force field
molecular dynamics (ReaxFF MD)
reactive oxygen species
sterilization
food safety
glucan
Reactive molecular dynamics models from ab initio molecular dynamics data using relative entropy minimization
期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683
作者:
Arntsen, Christopher
;
Chen, Chen
;
Voth, Gregory A.
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浏览/下载:7/0
  |  
提交时间:2019/12/05
Reactive molecular dynamics
Hydrated excess proton
Relative entropy minimization
Acids
Multiscale modeling
Molecular Dynamics Simulation of Pyrolysis Mechanism of Polyester Films
会议论文
作者:
Zhe Xin
;
Tong Zhao
;
Lei Shi
;
Rongzhao Jia
;
Liang Zou
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/31
polyester film
pyrolysis
reactive molecular dynamics
microscopic mechanism
ReaxFF
Molecular dynamic simulation of thermite reaction of Al nanosphere/FeO nanotube
期刊论文
Physics Letters A, 2016, 卷号: Vol.380 No.1-2, 页码: 194-199
作者:
Zhu, Zhi-Yang
;
Ma, Bo
;
Tang, Cui-Ming
;
Cheng, Xin-Lu
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  |  
浏览/下载:2/0
  |  
提交时间:2019/03/01
Molecular
dynamics
Reactive
force
field
Thermite
reaction
Canonical
ensemble
Molecular dynamics simulation on generation mechanism of water molecules during pyrolysis of insulating paper
期刊论文
ICHVE 2016 - 2016 IEEE International Conference on High Voltage Engineering and Application, 2016
作者:
Shi, Lei
;
Zhao, Tong
;
Shen, Guang
;
Hou, Yan
;
Zou, Liang
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  |  
浏览/下载:5/0
  |  
提交时间:2019/12/16
cellobiose
H2O
insulating paper
pyrolysis
reactive molecular dynamics
ReaxFF
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