Physical Organic Chemistry -Reaction Mechanism-

[2G2-37] Computational Study on the solute-solvent coupling analysis in Solution Reaction Dynamics

02.Oral B

○SHIGEMITSU, Yasuhiro; OHGA, Yasushi (Ind. Tech. Ctr. Nagasaki; Grad. Sch. Eng., Nagasaki Univ.)

PC Setting Time : 14:20 - 14:30

Keywords:dynamics solvent effect、non-equilibrium solvation、MD simulation、solvation free energy