Visualization of intrinsic reaction coordinate and global reaction route network based on multidimensional data reduction method

○TSUTSUMI

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

2:30 PM - 2:50 PM

[2D6-34] Visualization of intrinsic reaction coordinate and global reaction route network based on multidimensional data reduction method

Oral B

○TSUTSUMI, Takuro; ONO, Yuriko; ARAI, Zin; TAKETSUGU, Tetsuya (Grad. Sch. Chem. Sci. and Eng., Hokkaido Univ.)

PC Setting Time : 14:10 - 14:20

Keywords:Intrinsic reaction coordinate、Reaction route network、Classical multidimensional scaling、Dimensionality reduction、Global reaction route mapping

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