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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [3]
过程工程研究所 [2]
长春应用化学研究所 [2]
理论物理研究所 [1]
广州地球化学研究所 [1]
上海药物研究所 [1]
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OAI收割 [10]
内容类型
期刊论文 [9]
会议论文 [1]
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2023 [1]
2016 [1]
2014 [1]
2011 [1]
2010 [1]
2008 [1]
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学科主题
Physics [1]
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Percolation of Low-Dimensional Water at Crystalline Interfaces Mediates Fluid Migration in Subducting Slabs
期刊论文
OAI收割
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 2023, 卷号: 128, 期号: 9, 页码: 16
作者:
Chen, Meng
;
Zhu, Runliang
;
Zhu, Jianxi
;
He, Hongping
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2024/08/23
hydrous mineral
molecular simulation
thermodynamics
high pressure
phyllosilicate
water
Molecular docking for drug discovery and development: a widely used approach but far from perfect
期刊论文
OAI收割
FUTURE MEDICINAL CHEMISTRY, 2016, 卷号: 8, 期号: 14
作者:
Wang, Guimin
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
covalent binding
free energy
molecular docking
scoring function
solvent molecule
structural flexibility
thermodynamics and kinetics
Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 16, 页码: 4404-4411
作者:
Wang, YT
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2015/06/03
PARTICLE MESH EWALD
ELECTROLYTE-SOLUTIONS
OSMOTIC COEFFICIENTS
DIELECTRIC FRICTION
MOLECULAR SIMULATION
IONIC LIQUIDS
MONTE-CARLO
WATER
NACL
THERMODYNAMICS
Measurement and Correlation of Solubility Data for CO2 in NaHCO3 Aqueous Solution
期刊论文
OAI收割
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2011, 卷号: 56, 期号: 4, 页码: 1213-1219
作者:
Han, Xiaoying
;
Yu, Zhihui
;
Qu, Jingkui
;
Qi, Tao
;
Guo, Wei
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/11/06
CARBON-DIOXIDE
MOLECULAR THERMODYNAMICS
ELECTROLYTE-SOLUTIONS
OSMOTIC COEFFICIENTS
HENRY CONSTANTS
SODIUM-CHLORIDE
GAS SOLUBILITY
IMPROVED MODEL
HIGH-PRESSURE
PURE WATER
Kinetics and Thermodynamics of Adsorption of VB12 onto Mesoporous Carbon Coated with PMMA
期刊论文
OAI收割
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2010, 卷号: 26, 期号: 3, 页码: 431-435
作者:
Guo Zhuo
;
Zhang Weiwei
;
Ding Xiangping
;
Li Sha
;
Ma Lei
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
MOLECULAR-SIEVES
EQUILIBRIUM
TEMPLATES
REMOVAL
Mesoporous carbon
VB12 adsorption
Equilibrium
Kinetics
Thermodynamics
First-principles calculations for electronic, optical and thermodynamic properties of ZnS
期刊论文
OAI收割
Chinese Physics B, 2008, 卷号: 17, 期号: 10, 页码: 3867-3874
C. E. Hu
;
Z. Y. Zeng
;
Y. Cheng
;
X. R. Chen
;
L. C. Cai
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2012/04/13
density functional theory
electronic structure
optical property
thermodynamics property
molecular-dynamics
phase-transition
pressure
wurtzite
energy
nanobelts
cdse
gaas
Theoretical studies of solid-solid interfaces
期刊论文
OAI收割
Current Opinion in Solid State & Materials Science, 2006, 卷号: 10, 期号: 1, 页码: 26-32
S. Q. Wang
;
H. Q. Ye
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2012/04/14
solid/solid interfaces
interface cohesion
interface
mechanics/thermodynamics
computation and simulation
molecular-dynamics simulation
metal-ceramic interface
reactive
force-field
grain-boundary
cu(111)/alpha-al2o3(0001) interface
structural disorder
1st principles
adhesion
1st-principles
potentials
Effect of chain-length dependence of interaction parameter on spinodals for polydisperse polymer blends
期刊论文
OAI收割
macromolecular theory and simulations, 2006, 卷号: 15, 期号: 5, 页码: 440-445
Du XY
;
Sun ZY
;
An LJ
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2010/08/17
LIQUID PHASE SEPARATION
LATTICE-FLUID MODEL
CLOUD-POINT CURVES
CONTINUOUS THERMODYNAMICS
MOLECULAR-WEIGHT
STATISTICAL THERMODYNAMICS
STABILITY
SYSTEMS
Prediction of phase equilibrium of protein aqueous system
会议论文
OAI收割
4th International Conference on Separation Science and Technology (ICSST-04), Nanning, PEOPLES R CHINA, FEB 18-21, 2004
Zhang, X. P.
;
He, X. Z.
;
Li, C. S.
;
Zhang, S. J.
;
Dai, W. B.
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2013/11/05
artificial neural-networks
molecular thermodynamics
solubility
lysozyme
crystals
diagram
growth
Monte Carlo simulation of phase behavior of polymer blends with special interactions
期刊论文
OAI收割
macromolecular theory and simulations, 2001, 卷号: 10, 期号: 8, 页码: 750-755
Jiang W
;
Shi TF
;
Jiang SC
;
An LJ
;
Yan DH
;
Jiang BZ
收藏
  |  
浏览/下载:161/12
  |  
提交时间:2010/11/04
SEPARATION DYNAMICS
DIBLOCK COPOLYMERS
MOLECULAR-DYNAMICS
COEXISTING PHASES
GLASS-TRANSITION
BLOCK-COPOLYMER
MIXTURES
PROTEIN
CHAIN
THERMODYNAMICS