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| 書誌情報 | ファイル |
|---|---|
| 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 |  |
| 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 | |
| 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 | |
| From roaming atoms to hopping surfaces: mapping out global reaction routes in photochemistry. Maeda, Satoshi; Taketsugu, Tetsuya; Ohno, Koichi; Morokuma, Keiji (2015-02-23) Journal of the American Chemical Society, 137(10): 3433-3445 | |
| 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 | |
| The origin of enantioselectivity for intramolecular Friedel–Crafts reaction catalyzed by supramolecular Cu/DNA catalyst complex Petrova, Galina P.; Ke, Zhuofeng; Park, Soyoung; Sugiyama, Hiroshi; Morokuma, Keiji (2014-04-29) Chemical Physics Letters, 600: 87-95 | |
| Communications: A systematic method for locating transition structures of A+B-->X type reactions. Maeda, Satoshi; Morokuma, Keiji (2010-06-28) The Journal of chemical physics, 132(24) | |
| R-matrix calculation of integral and differential cross sections for low-energy electron-impact excitations of the N-2 molecule Tashiro, Motomichi; Morokuma, Keiji (2007-01) PHYSICAL REVIEW A, 75(1) | |
| 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 | |
| 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 | |