Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[2PC-170] Electronic states of stable trioxitriphenylamine dimers as studied by quantum chemical calculations

03.Poster

○MATSUI, Hiroki; SUGISAKI, Kenji; TOYOTA, Kazuo; SATO, Kazunobu; SHIOMI, Daisuke; TANAKA, Nobuaki; SUZUKI, Syuichi; OKADA, Keiji; TAKUI, Takeji (Grad. Sch. Sci., Osaka City Univ.)

Keywords:trioxytriphenylamine dimer、Zero-field splitting parameter、DFT、Triplet state