Presentation Information

[[F]2205-3am-03]Jahn–Teller Effect in Isomerization of Cubane

○Junki Sugimura1,2, Naoki Haruta1,2, Hiyori Takebe1, Seijiro Matsubara1, Tohru Sato1,2 (1. Mol. Eng., Grad. Sch. Eng., Kyoto University, 2. FIFC, Kyoto University)

Keywords:

Density Functional Theory,Symmetry,Substitution Effect,Group Theory,Reaction Path