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北京大学 [4]
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大连化学物理研究所 [1]
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期刊论文 [13]
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浏览/检索结果:
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DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture
期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2019, 卷号: 25, 期号: 4, 页码: 1235-1258
作者:
Zhang, Bo
;
DeBuhr, Jackson
;
Niedzielski, Drake
;
Mayolo, Silvio
;
Lu, Benzhuo
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/03/05
Poisson-Boltzmann equation
boundary element method
DASHMM
distributed computing
Correlation of natural muscovite exfoliation with interlayer and solvation forces
期刊论文
RSC Advances, 2017, 卷号: 7, 期号: 2, 页码: 1082-1088
作者:
Jia, Feifei
;
Yang, Lang
;
Wang, Qingmiao
;
Song, Shaoxian*
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/04
Cation-specific conformational behavior of polyelectrolyte brushes: From aqueous to nonaqueous solvent (EI收录)
期刊论文
Langmuir, 2014, 卷号: 30, 页码: 12850-12859
作者:
Wang, Tao[1]
;
Long, Yunchao[1]
;
Liu, Lvdan[1]
;
Wang, Xiaowen[1]
;
Craig, Vincent S. J.[2]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/04/25
Cesium
Chains
Grafting (chemical)
Methanol
Organic solvents
Polyelectrolytes
Quartz
Quartz crystal microbalances
Solvation
Solvents
Van der Waals forces
Image Approximations to Electrostatic Potentials in Layered Electrolytes/Dielectrics and an Ion-Channel Model
其他
2012-01-01
Lin, Huimin
;
Xu, Zhenli
;
Tang, Huazhong
;
Cai, Wei
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
Poisson-Boltzmann equation
Layered electrolytes and dielectrics
Method of images
Ion channels
Hybrid explicit/implicit solvent models
POISSON-BOLTZMANN EQUATION
DIELECTRIC SPHERE
REACTION FIELD
SOLVATION MODEL
CHARGE METHOD
SIMULATIONS
BIOLOGY
SYSTEM
FORCES
Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent
期刊论文
journal of chemical physics, 2011, 卷号: 135, 期号: 15
作者:
Wu, Johnny
;
Zhen, Xia
;
Shen, Hujun
;
Li, Guohui
;
Ren, Pengyu
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  |  
浏览/下载:15/0
  |  
提交时间:2015/11/12
biochemistry
intermolecular forces
macromolecules
molecular biophysics
molecular configurations
molecular dynamics method
polymer solutions
solvation
solvent effects
THE UNIQUE PROPERTIES OF THE SOLID-LIKE CONFINED LIQUID FILMS: A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH
期刊论文
Acta Mechanica Solida Sinica, 2011, 卷号: 24, 期号: 2, 页码: 101-116
作者:
王奉超(Wang FC)
;
赵亚溥(Zhao YP)
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  |  
浏览/下载:21/0
  |  
提交时间:2012/04/01
Confined Liquid
Solid-Like
Shear-Thinning
Slip
Large Scale Molecular Dynamics Simulation
Thin-Films
Rheological Properties
Solvation Forces
Surfaces
Slip
Hexadecane
Shear
Flow
Solidification
Transitions
Efficient extraction of direct coal liquefaction residue with the bmim Cl/NMP mixed solvent
期刊论文
Rsc Advances, 2011, 期号: 8, 页码: 1579-1584
Li, Y.
;
Zhang, X. P.
;
Dong, H. F.
;
Wang, X. L.
;
Nie, Y.
;
Zhang, S. J.
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  |  
浏览/下载:18/0
  |  
提交时间:2013/11/28
ionic liquid
carbon nanotubes
technologies
dissolution
solvation
Dual folding pathways of an alpha/beta protein from all-atom ab initio folding simulations
期刊论文
Journal of chemical physics, 2009, 卷号: 131, 期号: 16, 页码: 7
作者:
Lei, Hongxing
;
Wang, Zhi-Xiang
;
Wu, Chun
;
Duan, Yong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/05/10
Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores
期刊论文
journal of chemical physics, 2006, 卷号: 125, 期号: 8, 页码: 84716
作者:
Fu, Dong
;
Li, Xiao-Sen
收藏
  |  
浏览/下载:260/66
  |  
提交时间:2010/09/30
DENSITY-FUNCTIONAL THEORY
MONTE-CARLO-SIMULATION
LENNARD-JONES FLUIDS
DIRECTIONAL ATTRACTIVE FORCES
PAIR DISTRIBUTION THEORIES
FUNDAMENTAL-MEASURE-THEORY
PHYSICAL ADSORPTION
SOLVATION FORCES
GAS-ADSORPTION
ACTIVE CARBONS
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