Molecular density functional theory of water describing hydrophobicity at short and long length scales

Accurate evaluation of the angular-dependent direct correlation function of water

(2013) Shuangliang Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

A classical density-functional theory for describing water interfaces

(2013) Jessica Hughes et al.   JOURNAL OF CHEMICAL PHYSICS

A Site Density Functional Theory for Water: Application to Solvation of Amino Acid Side Chains

(2013) Yu Liu et al.   Journal of Chemical Theory and Computation

Molecular Density Functional Theory of Water

(2013) Guillaume Jeanmairet et al.   Journal of Physical Chemistry Letters

Solvation of complex surfaces via molecular density functional theory

(2012) Maximilien Levesque et al.   JOURNAL OF CHEMICAL PHYSICS

Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation

(2012) Maximilien Levesque et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Density Functional Theory: Application to Solvation and Electron-Transfer Thermodynamics in Polar Solvents

(2012) Daniel Borgis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular density functional theory of solvation: From polar solvents to water

(2011) Shuangliang Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

An improved coarse-grained model of solvation and the hydrophobic effect

(2011) Patrick Varilly et al.   JOURNAL OF CHEMICAL PHYSICS

Correction to “New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water”

(2011) Shuangliang Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water

(2011) Shuangliang Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Adsorption-Induced Deformation of Mesoporous Solids: Macroscopic Approach and Density Functional Theory

(2011) Gennady Yu. Gor et al.   LANGMUIR

Wetting of a solid substrate by a “civilized” model of ionic solutions

(2010) Anna Oleksy et al.   JOURNAL OF CHEMICAL PHYSICS

Classical density functional theory of solvation in molecular solvents: Angular grid implementation

(2009) Lionel Gendre et al.   CHEMICAL PHYSICS LETTERS

Incorporating Dipolar Solvents with Variable Density in Poisson-Boltzmann Electrostatics

(2008) Cyril Azuara et al.   BIOPHYSICAL JOURNAL

A molecular site-site integral equation that yields the dielectric constant

(2008) Kippi M. Dyer et al.   JOURNAL OF CHEMICAL PHYSICS

Treatment of charged solutes in three-dimensional integral equation theory

(2008) Thomas Kloss et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Chemistry in Solution by Combining 3D Integral Equation Theory with a Cluster Embedding Approach

(2008) Thomas Kloss et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids

(2008) Norio Yoshida et al.   JOURNAL OF PHYSICAL CHEMISTRY B