@phdthesis{oai:tsukuba.repo.nii.ac.jp:00008350,
 author = {渡邊, 寿雄 and Watanabe, Toshio},
 month = {},
 note = {Chemical phenomena are drastically changed by transportation from gas phase to solution, and incorporation of the solvation effects into chemical models has become of great interest for a few decades1-5. Among such methods, molecular simulations such as Monte Carlo(MC) and molecular dynamics(MD) simulations which deal with a large number of solvent molecules are widely used. In these methods, a potential function(PF) describes the forse field of the system and its accuracy determines the reliability of the simulation. An ab initio MD method using density functional theory as a force field6 is a hopeful method but its vast computational costs is critical. So, the PF was widely used as a force field in the simulations. There are two ways to determine the intermolecular PF. One is an empirical method ･･･, 1999, Bibliography: p. 76-81},
 school = {筑波大学, University of Tsukuba},
 title = {A new method of determining the non-empirical effective pair potential functions},
 year = {2000}
}