コレクションホームページ
学術雑誌掲載論文等
46
学術雑誌掲載論文等
46
(http://hdl.handle.net/2433/49816)
ブラウズ
文献一覧(発行日の降順ソート): 1 - 20 / 46
書誌情報 | ファイル |
---|---|
Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu (2024-01-21) Chemical Science, 15(3): 964-973 | |
Spin current in chemical reactions Hanasaki, Kota; Takatsuka, Kazuo (2022-04-16) Chemical Physics Letters, 793 | |
A theoretical investigation into the role of catalyst support and regioselectivity of molecular adsorption on a metal oxide surface: NO reduction on Cu/γ-alumina Ota, Wataru; Kojima, Yasuro; Hosokawa, Saburo; Teramura, Kentaro; Tanaka, Tsunehiro; Sato, Tohru (2021-01-28) Physical Chemistry Chemical Physics, 23(4): 2575-2585 | |
Principles of Aggregation‐Induced Emission: Design of Deactivation Pathways for Advanced AIEgens and Applications Suzuki, Satoshi; Sasaki, Shunsuke; Sairi, Amir Sharidan; Iwai, Riki; Tang, Ben Zhong; Konishi, Gen‐ichi (2020-06-15) Angewandte Chemie International Edition, 59(25): 9856-9867 | |
Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non-radiative Decay Pathway Iwai, Riki; Suzuki, Satoshi; Sasaki, Shunsuke; Sairi, Amir Sharidan; Igawa, Kazunobu; Suenobu, Tomoyoshi; Morokuma, Keiji; Konishi, Gen-ichi (2020-03-26) Angewandte Chemie International Edition, 59(26): 10566-10573 | |
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) | |
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) | |
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 | |
Applications of Vibronic Coupling Density Ota, Wataru; Sato, Tohru (2018-12-14) Journal of Physics: Conference Series, 1148(1) | |
Conical-intersection dynamics and ground-state chemistry probed by extreme-ultraviolet time-resolved photoelectron spectroscopy von Conta, A.; Tehlar, A.; Schletter, A.; Arasaki, Y.; Takatsuka, K.; Wörner, H. J. (2018-08-08) Nature Communications, 9 | |
Exploring the full catalytic cycle of rhodium(i)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation Yoshimura, Takayoshi; Maeda, Satoshi; Taketsugu, Tetsuya; Sawamura, Masaya; Morokuma, Keiji; Mori, Seiji (2017-06-01) Chemical Science, 8(6): 4475-4488 | |
Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: Experimental and computational studies Takeda, Youhei; Kuroda, Akinobu; Sameera, W. M C; Morokuma, Keiji; Minakata, Satoshi (2016-06-09) Chemical Science, 7: 6141-6152 | |
Exploration of Quenching Pathways of Multiluminescent Acenes Using the GRRM Method with the SF-TDDFT Method. Suzuki, Satoshi; Maeda, Satoshi; Morokuma, Keiji (2015-11-25) The journal of physical chemistry. A, 119(47): 11479-11487 | |
Time-dependent density-functional tight-binding method with the third-order expansion of electron density. Nishimoto, Yoshio (2015-09-04) The Journal of chemical physics, 143(9) | |
The Mechanism of Iron(II)-Catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study. Sameera, W M C; Hatanaka, Miho; Kitanosono, Taku; Kobayashi, Shū; Morokuma, Keiji (2015-09-02) Journal of the American Chemical Society, 137(34): 11085-11094 | |
Third-order density-functional tight-binding combined with the fragment molecular orbital method Nishimoto, Yoshio; Fedorov, Dmitri G.; Irle, Stephan (2015-09) Chemical Physics Letters, 636: 90-96 | |
Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: A QM/MD study Jiao, Menggai; Li, Kai; Guan, Wei; Wang, Ying; Wu, Zhijian; Page, Alister; Morokuma, Keiji (2015-07-14) Scientific Reports, 5 |
文献一覧(発行日の降順ソート): 1 - 20 / 46