Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[1E2-04] Trimethylamine-N-oxide: its hydration structure and surface activity, viewed by vibrational spectroscopy and molecular dynamics simulations

02.Oral B

○OHTO, Tatsuhiko (Grad. Sch. Eng. Sci., Osaka Univ.)

PC Setting Time : 08:50 - 09:00

Keywords:Ab initio MD simulation、TMAO、sum frequency generation