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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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金属研究所 [10]
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期刊论文 [48]
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Hydrate-based SF6 6 capture and sequestration: Insights from thermodynamics, kinetics,
in-situ
-
situ
Raman spectroscopy, and molecular dynamic simulation
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 499, 页码: 13
作者:
Sun, Jiyue
;
Zhang, Ye
;
Chou, I-Ming
;
Jiang, Lei
;
Li, Xiaosen
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2024/11/25
SF 6 hydrate
Thermodynamic
Kinetic
Raman spectra
Molecular dynamic simulation
Discovery of a novel nanomolar angiotensin-I converting enzyme inhibitory peptide with unusual binding mechanisms derived from
Chlorella pyrenoidosa
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2024, 卷号: 280, 页码: 13
作者:
Suo, Qishan
;
Wang, Jing
;
Wu, Ning
;
Geng, Lihua
;
Zhang, Quanbin
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/12/20
Angiotensin converting enzyme
Chlorella peptide
Molecular dynamic simulation
Effects of oxidizers on the ignition and combustion characteristics of aluminum nanoparticles
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 223, 页码: 112116
作者:
Zhou, Yintao
;
Shi, Baolu
;
Chu, Qingzhao
;
Liao LJ(廖丽涓)
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2023/04/20
Aluminum nanoparticles
Oxidizer atmospheres
Ignition and combustion
Energy release
Reactive molecular dynamic simulation
Study of Viscoelastic Properties of Graphene Foams Using Dynamic Mechanical Analysis and Coarse Grained Molecular Dynamics Simulations
期刊论文
OAI收割
MATERIALS, 2023, 卷号: 16, 期号: 6, 页码: 2457
作者:
Liu, Shenggui
;
Lyu, Mindong
;
Yang, Cheng
;
Jiang MQ(蒋敏强)
;
Wang C(王超)
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/04/20
graphene foam materials
viscoelastic properties
dynamic mechanical analysis
microstructure
coarse grained molecular dynamics simulation
Metal-coordination and surface adhesion-assisted molding enabled strong, water-resistant carboxymethyl cellulose films
期刊论文
OAI收割
CARBOHYDRATE POLYMERS, 2022, 卷号: 298, 页码: 11
作者:
Yang, Weisheng
;
Song, Yang
;
Li, Chang
;
Bian, Huiyang
;
Dai, Hongqi
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2023/02/24
Cellulose films
Metal-coordination
Water resistance
Molecular dynamic simulation
Plastic replacement
Effect of K2O on the crystallization mechanism of SiO2-Li2O glass analyzed by molecular dynamic simulation
期刊论文
OAI收割
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2022, 页码: 17
作者:
Xu, Kewei
;
Peng, Lian
;
Zhu, Qingshan
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/02/24
Crystallization mechanism
lithium disilicate glass
molecular dynamic simulation
Structural and dynamical properties of H2O molecules confined within albite-quartz system under cyclic thermal loading: insights from molecular dynamic simulation
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2021, 卷号: 1245, 页码: 9
作者:
Wang, Junxia
;
Ren, Weizhong
;
Yan, Shilin
  |  
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2022/01/05
Molecular dynamic simulation
Cyclic thermal loading
Albite-quartz system
Rock weathering
Tribological behaviors of DLC films with hierarchical surface textures under water lubrication: A molecular dynamic simulation
期刊论文
OAI收割
Journal of Micromechanics and Molecular Physics, 2021, 卷号: 6, 期号: 2150005, 页码: 22
作者:
Huan Chen
;
Guangan Zhang
;
Zhibin Lu
;
Xia Li†,
;
Narasimalu Srikanth
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/12/08
Hierarchical surface textures
tribological behaviors
diamond-like carbon films
water lubrication
molecular dynamic simulation
Insight of Synergistic Effect between CPP and Cargo on the Facilitation Mechanisms of R7-PTX Translocation: Experiments and Molecular Simulations
期刊论文
OAI收割
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2021, 卷号: 161, 页码: 9
作者:
Wei, Yuping
;
Zhang, Caiying
;
Zhang, Man
;
Niu, Qionghong
;
Hui, Fengli
  |  
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2021/08/31
Cell penetrating peptide
Molecular dynamic simulation
Synergistic effect
Direct translocation
Endocytosis
Cost-effective purification process development for chimeric hepatitis B core (HBc) virus-like particles assisted by molecular dynamic simulation
期刊论文
OAI收割
ENGINEERING IN LIFE SCIENCES, 2021, 页码: 15
作者:
  |  
收藏
  |  
浏览/下载:105/0
  |  
提交时间:2021/08/31
hepatitis B core
molecular dynamic simulation
protein characterization
protein purification
virus‐
like particle