[[C]C302-4pm2] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

3:10 PM - 3:20 PM JST(6:10 AM - 6:20 AM UTC)Japanese

[[C]C302-4pm2-08] Theoretical study of substituent effects on excited state reaction paths of pyrimidines

○Yuto Kobayashi¹, Yusuke Minegishi¹, Kenichiro Saita², Tetsuya Taketsugu^2,3 (1. Grad. School Chem. Sci. Eng., Hokkaido Univ., 2. Fac. Sci., Hokkaido Univ., 3. WPI-ICReDD, Hokkaido Univ.)

Keywords:

Pyrimidines,Excited states,Exploration of reaction paths,Spin-flip TDDFT method,Quantum chemical calculations