Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[1E2-29] Molecular dynamics simulation of the anion binding association mechanism contributed to pyrrole rotation for 1,3-dipyrrolyl-1,3-propanediones including BF2.

01.Oral A

○KATO, Tomoki; MASHIKO, Takako; HAKETA, Yohei; MAEDA, Hiromitsu; TACHIKAWA, Masanori (Grad. Sch. Nanobiosci., Yokohama City Univ.)

PC Setting Time : 13:10 - 13:20

Keywords:anion binding association、Molecular dynamics、pyrrole ring rotation