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科研机构
理论物理研究所 [13]
内容类型
期刊论文 [13]
发表日期
2022 [2]
2018 [2]
2016 [9]
学科主题
Chemistry [13]
Physics [8]
Materials ... [7]
Polymer Sc... [3]
Science & ... [2]
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学科主题:Chemistry
专题:理论物理研究所
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Machine learning glass caging order parameters with an artificial nested neural network
期刊论文
SOFT MATTER, 2022, 卷号: 18, 期号: 33, 页码: 6270-6277
作者:
Zhang, Kaihua
;
Li, Xinyang
;
Jin, Yuliang
;
Jiang, Ying
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/01/16
LIQUIDS
TRANSITIONS
The structuring effect of the alkyl domains on the polar network of ionic liquid mixtures: a molecular dynamics study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 31, 页码: 18783-18792
作者:
Mazzilli, Valerio
;
Wang, Yanting
;
Saielli, Giacomo
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  |  
浏览/下载:9/0
  |  
提交时间:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Cao, WD
;
Wang, YT
;
Saielli, G
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  |  
浏览/下载:35/0
  |  
提交时间:2018/12/27
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Wang, YT
;
Cao, WD
;
Saielli, G
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2018/12/26
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Solute based Lagrangian scheme in modeling the drying process of soft matter solutions
期刊论文
EUROPEAN PHYSICAL JOURNAL E, 2016, 卷号: 39, 期号: 2, 页码: 22
作者:
Meng, FL
;
Luo, L
;
Doi, MS
;
Ouyang, ZC
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/04/08
PARTICLE FORMATION
IRREVERSIBLE-PROCESSES
RECIPROCAL RELATIONS
INVAGINATION
EVAPORATION
FILMS
SHELL
Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles
期刊论文
APPLIED SURFACE SCIENCE, 2016, 卷号: 383, 页码: 310-316
作者:
Xie, T
;
Wang, R
;
Wang, SF
;
Wu, XZ
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/04/08
Zigzag silicene nanoribbons
TOTAL-ENERGY CALCULATIONS
Stone-Wales defects
AUGMENTED-WAVE METHOD
Electronic properties
ELECTRON-GAS
First-principles
BASIS-SET
SI
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690
作者:
Ramirez-Gonzalez, PE
;
Ren, G
;
Saielli, G
;
Wang, YT
;
Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2017/10/13
Solute based Lagrangian scheme in modeling the drying process of soft matter solutions
期刊论文
EUROPEAN PHYSICAL JOURNAL E, 2016, 卷号: 39, 期号: 2, 页码: 22
作者:
Meng, FL (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
;
Doi, MS (reprint author), Beihang Univ, Ctr Soft Matter Phys & Its Applicat, Beijing 100191, Peoples R China.
;
Meng, FL
;
Luo, L
;
Doi, MS
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2017/10/13
Local charge states in hexagonal boron nitride with Stone-Wales defects
期刊论文
NANOSCALE, 2016, 卷号: 8, 期号: 15, 页码: 8210-8219
作者:
Wang, R
;
Yang, JL
;
Wu, XZ
;
Wang, SF
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/04/08
BRILLOUIN-ZONE INTEGRATIONS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
MAGNETIC-PROPERTIES
ELECTRON-GAS
BASIS-SET
NANORIBBONS
GRAPHENE
NANOTUBES
CARBON
Local charge states in hexagonal boron nitride with Stone-Wales defects
期刊论文
NANOSCALE, 2016, 卷号: 8, 期号: 15, 页码: 8210-8219
作者:
Wang, R
;
Yang, JL
;
Wu, XZ
;
Wang, SF
;
Wang, R (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China.
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  |  
浏览/下载:16/0
  |  
提交时间:2017/10/13
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