相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Molecular Density Functional Theory: Application to Solvation and Electron-Transfer Thermodynamics in Polar Solvents
Daniel Borgis et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Density functional theory for differential capacitance of planar electric double layers in ionic liquids
De-en Jiang et al.
CHEMICAL PHYSICS LETTERS (2011)
Molecular density functional theory of solvation: From polar solvents to water
Shuangliang Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
An improved coarse-grained model of solvation and the hydrophobic effect
Patrick Varilly et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water (vol, 115, pg 6971, 2011)
Shuangliang Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Dissecting the Energetics of Hydrophobic Hydration of Polypeptides
Silvina Matysiak et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water
Shuangliang Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
A classical density functional theory for interfacial layering of ionic liquids
Jianzhong Wu et al.
SOFT MATTER (2011)
Wetting of a solid substrate by a civilized model of ionic solutions
Anna Oleksy et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
An efficient algorithm for classical density functional theory in three dimensions: Ionic solutions
Matthew G. Knepley et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Fundamental measure theory for hard-sphere mixtures: a review
Roland Roth
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Entropic forces of single-chain confinement in spherical cavities
Zhehui Jin et al.
PHYSICAL REVIEW E (2010)
Classical density functional theory of solvation in molecular solvents: Angular grid implementation
Lionel Gendre et al.
CHEMICAL PHYSICS LETTERS (2009)
Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids
Norio Yoshida et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Water Modeled As an Intermediate Element between Carbon and Silicon
Valeria Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Enhanced surface hydrophobicity by coupling of surface polarity and topography
Nicolas Giovambattista et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Incorporating Dipolar Solvents with Variable Density in Poisson-Boltzmann Electrostatics
Cyril Azuara et al.
BIOPHYSICAL JOURNAL (2008)
A molecular site-site integral equation that yields the dielectric constant
Kippi M. Dyer et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Treatment of charged solutes in three-dimensional integral equation theory
Thomas Kloss et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach
Thomas Kloss et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Hydrophobicity of protein surfaces: Separating geometry from chemistry
Nicolas Giovambattista et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
A site-renormalized molecular fluid theory
Kippi M. Dyer et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Properties of non-fcc hard-sphere solids predicted by density functional theory
James F. Lutsko
PHYSICAL REVIEW E (2006)
PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics
Cyril Azuara et al.
NUCLEIC ACIDS RESEARCH (2006)
Density functional theory for chemical engineering: From capillarity to soft materials
JZ Wu
AICHE JOURNAL (2006)
Direct correlation functions and the density functional theory of polar solvents
R Ramirez et al.
CHEMICAL PHYSICS (2005)
Density functional theory of solvation and its relation to implicit solvent models
R Ramirez et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Liquid state theories for the structure of water
G Reddy et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
A new efficient method for density functional theory calculations of inhomogeneous fluids
MP Sears et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2003)
Structures of hard-sphere fluids from a modified fundamental-measure theory
YX Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Close to the edge of fundamental measure theory:: a density functional for hard-sphere mixtures
JA Cuesta et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version
R Roth et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Density functional theory of solvation in a polar solvent: Extracting the functional from homogeneous solvent simulations
R Ramirez et al.
PHYSICAL REVIEW E (2002)
Density functional theory for inhomogeneous mixtures of polymeric fluids
YX Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Fundamental measure theory and dimensional interpolation for the hard spheres fluid
P Tarazona
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2002)
Model of a fluid at small and large length scales and the hydrophobic effect
PR ten Wolde et al.
PHYSICAL REVIEW E (2002)
Density-functional theory for vacancies in hard-sphere crystals
B Groh
PHYSICAL REVIEW E (2000)
Hard-sphere solids near close packing: Testing theories for crystallization
B Groh et al.
PHYSICAL REVIEW E (2000)
Density functional for hard sphere crystals: A fundamental measure approach
P Tarazona
PHYSICAL REVIEW LETTERS (2000)
分享论文
