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Chinese Academy of Sciences Institutional Repositories Grid
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大连化学物理研究所 [10]
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期刊论文 [26]
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2024 [1]
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Dynamic chemisorption and tribochemistry of α-lipoic-acid-ester on ferrous surfaces
期刊论文
OAI收割
Tribology International, 2024, 期号: 192, 页码: 109291
作者:
Ruan XP(阮晓鹏)
;
Xiaomei,Wang
;
Zhou R(周锐)
;
Zhao Y(赵阳)
;
Bao LY(鲍路瑶)
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/12/25
Tribochemistry
Tribofilm
Reactive molecular dynamics simulation
α-Lipoic acid ester
A perspective on applied geochemistry in porous media: Reactive transport modeling of geochemical dynamics and the interplay with flow phenomena and physical alteration
期刊论文
OAI收割
APPLIED GEOCHEMISTRY, 2022, 卷号: 146, 期号: -, 页码: -
作者:
Deng, Hang
;
Gharasoo, Mehdi
;
Zhang, Liwei
;
Dai, Zhenxue
;
Hajizadeh, Alireza
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/08/02
Porous media
Reactive transport modeling
Coupled processes
Multi -scale
Geochemical dynamics
Using Event-Based Method to Estimate Cybersecurity Equilibrium
期刊论文
OAI收割
IEEE/CAA Journal of Automatica Sinica, 2021, 卷号: 8, 期号: 2, 页码: 455-467
作者:
Zhaofeng Liu
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2021/04/09
Cybersecurity dynamics
cybersecurity equilibrium
event-based method
global state estimation
preventive and reactive cyber defense dynamics
Chemical effect of NO on CH4 oxidation during combustion in O-2/NO environments
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 727, 页码: 59-65
作者:
Liu, Yalan
;
Zhang, Xuexiang
;
Ding, Junxia
  |  
收藏
  |  
浏览/下载:80/0
  |  
提交时间:2019/06/20
Methane
Oxidation
Nitric oxide
Reactive molecular dynamics
Kinetic behavior
Interfacial molecular deformation mechanism for low friction of MoS2 determined using ReaxFF-MD simulation
期刊论文
OAI收割
CERAMICS INTERNATIONAL, 2019, 卷号: 45, 期号: 2, 页码: 2258-2265
作者:
Shi, Yanbin
;
Cai, Zhaobing
;
Pu, Jibin
;
Wang, Liping
;
Xue, Qunji
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/12/18
ATOMIC-SCALE FRICTION
REACTIVE FORCE-FIELD
DYNAMICS
Dynamical resonances in F + H-2/HD reaction scattering
期刊论文
OAI收割
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 2
作者:
Li, Xueming
;
Sun, Zhigang
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/06/20
Reactive Resonance
Quantum Reaction Dynamics
Time-dependent Wave Packet Method
Thermal decomposition behaviour of polyethylene in oxygen-free and low oxygen content circumstances by reactive molecular dynamic simulation
期刊论文
OAI收割
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)
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2018/07/17
Thermal Decomposition
Molecular Dynamics
Reactive Force Field
Polyethylene
Oxygen Content
Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces
期刊论文
OAI收割
surface science, 2015, 卷号: 640, 页码: 25-35
作者:
Lozano, A.
;
Shen, X. J.
;
Moiraghi, R.
;
Dong, W.
;
Busnengo, H. F.
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2015/11/17
Methane
Surfaces
Molecular dynamics
Adsorption
Reactive force fields
Bond selectivity
Development of the Potential Energy Surface and Current Stage of the Quantum Dynamics Studies of the F+H-2/HD Reaction
期刊论文
OAI收割
international journal of quantum chemistry, 2015, 卷号: 115, 期号: 11, 页码: 689-699
作者:
Sun, Zhigang
;
Zhang, Dong H.
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2015/11/17
F+H-2
quantum reaction dynamics
potential energy surface
quantum chemistry method
reactive scattering
Preliminary understanding of initial reaction process for subbituminous coal pyrolysis with molecular dynamics simulation
期刊论文
OAI收割
FUEL, 2014, 卷号: 134, 期号: OCT., 页码: 283-292
作者:
Zhan, Jin-Hui
;
Wu, Rongcheng
;
Liu, Xiaoxing
;
Gao, Shiqiu
;
Xu, Guangwen
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2014/09/30
Subbituminous coal
Pyrolysis
Reactive molecular dynamics
Reaction mechanism