Molecular density functional theory of solvation: from polar solvents to water.

Molecular density functional theory of solvation: from polar solvents to water.

Item
http://www.wikidata.org/entity/Q51566851
Nonlinear Poisson equation for heterogeneous media.Polar-solvation classical density-functional theory for electrolyte aqueous solutions near a wall.Small molecule hydration energy and entropy from 3D-RISM.Extended molecular Ornstein-Zernike integral equation for fully anisotropic solute molecules: formulation in a rectangular coordinate system.Molecular density functional theory of water describing hydrophobicity at short and long length scales.Site-site direct correlation functions for three popular molecular models of liquid water.The Role of Interfacial Water in Protein-Ligand Binding: Insights from the Indirect Solvent Mediated Potential of Mean Force.Exact molecular direct, cavity, and bridge functions in water system.Efficient molecular density functional theory using generalized spherical harmonics expansions.Relationship between Solvation Thermodynamics from IST and DFT Perspectives.Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly.Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li(+)(CH3NO2)n (n = 1-20).Molecular density functional theory for water with liquid-gas coexistence and correct pressure.Accurate evaluation of the angular-dependent direct correlation function of water.Effect of confinement in nano-porous materials on the solubility of a supercritical gas3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions
P2860

Molecular density functional theory of solvation: from polar solvents to water.

Item
http://www.wikidata.org/entity/Q51566851
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Molecular density functional theory of solvation: from polar solvents to water.
@en
Molecular density functional theory of solvation: from polar solvents to water.
@nl
type
label
Molecular density functional theory of solvation: from polar solvents to water.
@en
Molecular density functional theory of solvation: from polar solvents to water.
@nl
prefLabel
Molecular density functional theory of solvation: from polar solvents to water.
@en
Molecular density functional theory of solvation: from polar solvents to water.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
Molecular density functional theory of solvation: from polar solvents to water.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698