The angular dependent site-renormalized integral equation theory is developed to compute the dihedral conformation distribution and intermolecular pair distributions of n-butane at infinite dilution in a Lennard-Jones solvent. ...

We present an improved analytical ansatz for the colloid-nematic direct correlation function. This ansatz is more accurate than our earlier version, and yields numerical results that are very close to the true mean spherical ...

The solution of the associative mean-spherical approximation for ion- dipolar system is reinvestigated and expressed in terms of only five parameters. Three of them have counterparts in the case without association, and ...

The reference interaction site model – self-consistent field (RISM-SCF) theory was applied to a series of polyatomic molecules in aqueous solution, including CH₄, NH₃, H₂O and HF. The bond order index, which characterizes ...

The anomeric equilibrium of D-glucose in aqueous solution was studied by the extended reference interaction site model (XRISM) theory. In this study, all of the rotational degrees of freedom were considered upon the exocyclic ...

This paper introduces a basic theoretical background to the description of conformational dynamics of proteins through a system of interacting domains. The essential collective degrees of freedom derived by principal component ...