Three-dimensional reference interaction site model

Kovalenko A, Ten-No S, Hirata F Solution of three-dimensional reference interaction site model and hypemetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace, J Comput Chem 20(9) 928-936, 1999. 

Kovalenko A, Hirata F, Kinoshita M Hydration structure and stabdity of Met-enkephalin studied by a three-dimensional reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method, J Chem Phys 113(21) 9830—9836, 2000. 

A. Kovalenko and F. Hirata. Self-consistent description of a metal-water interface by the Kohn-Sham density functional theory and the three-dimensional reference interaction site model. J. Chem. Phys. 110,1999, 10095-10112. 

Fig. 1. Ulusuation of the one dimensional lattice model with nearest neighbor interaction. Three different conformations are shown the equilibrium constants for forming each conformation from the oik above it are iiulicated as for the first pair because an isolated randomly coiled site becomes helical (these sites are indicated with ),. s for the second pair, because a randomly coiled site adjacoit to a helical site becomes helical. The statistical weights are Micated at right, with reference to the entirely coiled conformation. The general form is where m is the number of sites in the helical conformation, n is the number of continuous stretches of helical sites (93)...

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