Exact molecular direct, cavity, and bridge functions in water system

Efficient molecular density functional theory using generalized spherical harmonics expansions

(2017) Lu Ding et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient full Newton–Raphson technique for the solution of molecular integral equations – example of the SPC/E water-like system

(2014) Luc Belloni et al.   MOLECULAR PHYSICS

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

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

Bridge function for the dipolar fluid from simulation

(2012) Joël Puibasset et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

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

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

Spatial Correlations of Density and Structural Fluctuations in Liquid Water: A Comparative Simulation Study

(2011) Felix Sedlmeier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) Lionel Gendre et al.   CHEMICAL PHYSICS LETTERS

Structure and stability of isotropic states of hard platelet fluids

(2008) David L. Cheung et al.   PHYSICAL REVIEW E