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科研机构
理论物理研究所 [9]
上海药物研究所 [3]
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期刊论文 [12]
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2023 [1]
2022 [2]
2020 [1]
2018 [2]
2016 [3]
2009 [1]
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Chemistry [12]
Physics [4]
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Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl
期刊论文
MEMBRANES, 2023, 卷号: 13, 期号: 9, 页码: 749
作者:
Cheng, Ziqi
;
Li, Shen
;
Tocci, Elena
;
Saielli, Giacomo
;
Gugliuzza, Annarosa
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/12/07
MIXED MATRIX MEMBRANES
SIMULATIONS
PERFORMANCE
ELECTROLYTES
TRANSITION
SEPARATION
CRYSTALS
BEHAVIOR
SURFACE
STATE
Size of Nanoscale Domains in Inhomogeneous Surfaces Determines Ice Nucleation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 卷号: 126, 期号: 31, 页码: 13373-13380
作者:
Zhang, Chuanbiao
;
Wang, Yanting
;
Wang, Jianjun
;
Zhou, Xin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/01/16
GRAPHENE OXIDE
HEXAGONAL ICE
WATER
SIMULATIONS
CARBON
INTERPLAY
GROWTH
IMPACT
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:8/0
  |  
提交时间:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
作者:
Cao, Wudi
;
Senthilkumar, Beeran
;
Causin, Valerio
;
Swamy, Vincent P.
;
Wang, Yanting
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS SIMULATIONS
SPATIAL HETEROGENEITY
THERMAL-BEHAVIOR
CHAIN-LENGTH
GUANIDINIUM
TRANSITION
AGGREGATION
TRANSPORT
INSIGHTS
STATE
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Li, S
;
Saielli, G
;
Wang, YT
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  |  
浏览/下载:39/0
  |  
提交时间:2018/12/27
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Saielli, G
;
Li, S
;
Wang, YT
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2018/12/26
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160
作者:
Saielli, G
;
Wang, YT
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/04/08
MOLECULAR-DYNAMICS SIMULATIONS
FORCE-FIELD
SPATIAL HETEROGENEITY
ATOMISTIC SIMULATIONS
DICYANAMIDE ANIONS
TAIL AGGREGATION
SOLAR-CELLS
PHASE
MESOMORPHISM
TRANSITION
Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides
期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2016, 卷号: 464, 页码: 219-228
作者:
Zhou, P
;
Deng, L
;
Wang, YT
;
Lu, JR
;
Xu, H
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/04/08
Short peptides
AMINO-ACID-SEQUENCE
Self-assembly
MOLECULAR-DYNAMICS
Nanostructures
SIMULATIONS
Intermolecular interactions
AMPHIPHILES
Molecular packing modes
PROTEINS
Molecular dynamics
FIBRILS
SYSTEMS
BIOMATERIALS
STABILITY
INSIGHTS
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Feng, D
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  |  
浏览/下载:13/0
  |  
提交时间:2019/04/08
Potential of mean force
MOLECULAR-DYNAMICS SIMULATIONS
Hydrogen bond
PARTICLE MESH EWALD
Molecular dynamics simulation
NUCLEIC-ACIDS
Umbrella sampling
FORCE-FIELD
RNA
TRIPHOSPHATE
MECHANICS
GROMACS
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