Development of Hybrid Method between Statistical and Quantum Mechanics to Understand Chemistries in Solution at Atomic Level

摘要

In a variety of chemistries, solvent molecules are employed to dissolve solute molecules. Although the solvent molecule itself is not focused on in many cases, they play an important role to determine the reactivity of the chemical reactions, the solvatochromism in fluorescence, and so on. To understand the mechanism of the chemistries in solution, we have to take solvent molecules into consideration.