Theoretical investigation on the direction changes of dipole moment functions following the OH group stretch vibration in hydrogen bond complexes ROH…Y

Presentation information

Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 1:10 PM - 5:20 PM D6 (336, Bldg. 3 [3F])

2D6-26～2D6-31　HARUTA, Naoki
2D6-33～2D6-36　SUGIMOTO, Manabu
2D6-39～2D6-42　SUGISAKI, Kenji
2D6-45～2D6-49　OKUMURA, Mitutaka

1:50 PM - 2:00 PM

[2D6-30] Theoretical investigation on the direction changes of dipole moment functions following the OH group stretch vibration in hydrogen bond complexes ROH…Y

○SHUNKI, Furudate; KUGAYA, Yuto; YABUSHITA, Satoshi (Grad. Sch. Sci. Tech., Keio Univ.)

PC Setting Time : 13:00 - 13:10

Keywords:hydrogen bond、dipole moment function、infrared absorption intensity、DFT、overtone intensity

Please log in with your participant account.
» Participant Log In