[[F]2102-1pm] 10. Organic Chemistry -Organometallic Compounds-

1:40 PM - 2:00 PM JST(4:40 AM - 5:00 AM UTC)Japanese

[[F]2102-1pm-03] Development of Virtual Ligand-Assisted Optimization Method for In Silico Ligand Engineering and Its Application to Hydrogermylation of Terminal Ynamide

○Wataru Matsuoka^1,2,3, Taihei Oki^2,3, Ren Yamada¹, Tomohiko Yokoyama⁴, Shinichi Suda¹, Carla M. Saunders⁵, Bastian Bjerkem Skjelstad⁶, Yu Harabuchi^2,3, Natalie Fey⁵, Satoru Iwata^4,2,3, Satoshi Maeda^1,2,3 (1. Hokkaido University, 2. WPI-ICReDD, 3. JST-ERATO, 4. The Univ. of Tokyo, 5. University of Bristol, 6. University of Oxford)

Keywords:

In Silico Catalyst Design,Catalyst Optimization,Phosphine Ligand,Quantum Chemical Calculation,Virtual Ligand