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書誌情報	ファイル
Electronic and nuclear fluxes induced by quantum interference in the adiabatic and nonadiabatic dynamics in the Born-Huang representation Matsuzaki, Rei; Takatsuka, Kazuo (2019-01-07) The Journal of Chemical Physics, 150(1)
Model building of metal oxide surfaces and vibronic coupling density as a reactivity index: Regioselectivity of CO₂ adsorption on Ag-loaded Ga₂O₃ Kojima, Yasuro; Ota, Wataru; Teramura, Kentaro; Hosokawa, Saburo; Tanaka, Tsunehiro; Sato, Tohru (2019-01) Chemical Physics Letters, 715: 239-243
Periodicity of molecular clusters based on symmetry-adapted orbital model Tsukamoto, Takamasa; Haruta, Naoki; Kambe, Tetsuya; Kuzume, Akiyoshi; Yamamoto, Kimihisa (2019-08-19) Nature Communications, 10: 3727
Time-Dependent Long-Range-Corrected Density-Functional Tight-Binding Method Combined with the Polarizable Continuum Model Nishimoto, Yoshio (2019-07-05) Journal of Physical Chemistry A, 123(26): 5649-5659
Chemical bonding and nonadiabatic electron wavepacket dynamics in densely quasi-degenerate excited electronic state manifold of boron clusters Arasaki, Yasuki; Takatsuka, Kazuo (2019-03-21) The Journal of Chemical Physics, 150(11)
Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approach Hanasaki, Kota; Takatsuka, Kazuo (2019-08-28) The Journal of Chemical Physics, 151(8)