Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[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