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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
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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
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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
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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
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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
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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
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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)
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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)
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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
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