Spin-Orbit Coupling Analyses of the Phosphorescence: The Effects of Cyclometalated Ligand Replacement in Ir(ppy)3 with Various bpy Ligands to Blue Phosphorescence, S.Koseki, S.Yagi, H.Yoshinaga, T.Asada, T.Matsushita, RCS Advances, 6, 65020-65030 (2016).
Amorphous Solid Simulation and Trial Fabrication of the Organic Field-Effect Transistor of Tetrathienonaphthalenes Prepared by Using Microflow Photochemical Reactions; A Theoretical Calculation-Inspired Investigation, Yamamoto, Atsushi; Matsui, Yasunori; Asada, Toshio; Kumeda, Motoki; Takagi, Kenichiro; Suenaga, Yu; Nagae, Kunihiko; Ohta, Eisuke; Sato, Hiroyasu; Koseki, Shiro; Naito, Hiroyoshi; Ikeda, Hiroshi, J.Org.Chem.,81, 3168-3176 (2016).
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in QM/MM scheme , T.Asada,K.Ando,K.Sakurai,S.Koseki,M.Nagaoka, Phys.Chem.Chem.Phys.,17, 26955 – 26968 (2015).
Spin-Orbit Coupling Analyses on Phosphorescent Processes in Ir(Zppy)3 (Z = NH2, NO2 and CN), H.Yoshinaga,T.Asada,S.Koseki, RSC Adv., 5, 35760-35772 (2015)
Efficient approach to obtain free energy gradient using QM/MM MD simulation, T.Asada,K.Ando,S.Koseki, AIP Conf. Proc., 1702, 090005 (2015).
Synthesis of Double Helicene by Palladium Catalyzed Cross-Coupling Reaction: Structure and Physical Properties, H.Kashiwara, ; T.Asada; K.Kamikawa, Chem.Eur.J., 21, 1-6 (2015).
Theoretical analyses on phosphorescent processes in Pt(thpy)2 and its derivatives, J.Phys.Chem.C, S.Koseki, Y.Kagita, S.Matsumoto, T.Asada, S.Yagi, H.Nakazumi, 118 ,15412–15421 (2014).
“Theoretical Investigation of the Reaction Mechanism of ClONO2 + HCl → HNO3 + Cl2 on (H2O)n (n = 0-3) Cluster”, T.Asada, T.Okajima, S.Koseki, J.Phys.Chem.A, 117, 7928-7938 (2013)
“Spin-Orbit Coupling Analyses of the Geometrical Effects on Phosphorescence in Ir(ppy)3 and Its Derivatives”, S.Koseki, N.Kamata, T.Asada, S.Yagi, H.Nakazumi, T.Matsushita, J.Phys.Chem.C, 117, 5314 (2013).
“QM/MM investigation on the degradation mechanism of the electron transporting layer”, T.Asada, K.Ohta, T.Matsushita and S.Koseki, Theo.Chem.Acc., 130, 439-448 (2011).