CHEMICAL PROCESSES IN SOLUTION STUDIED BY AN INTEGRAL-EQUATION THEORYOF MOLECULAR LIQUIDS

A variety of chemical processes in solution is explored theoretically by means of the extended RISM equation, an integral equation theory of molecular liquids. The chemical processes include the classical probl em of ion hydration, solvent induced electronic structure change and c hemical reactivity in solution, protein folding, and dynamics of solve nt as well as solvated ions. A special emphasis is laid on the ability of the theory to account for chemical specificities of molecules, whi ch is crucial for any chemical processes in solution.