研究業績

論文発表

原著論文

20) T. Oku, M. Okada, M. Puripat, M. Hatanaka, K. Morokuma, J.-C. Choi, “Promotional effect of CH3I on hydroxycarbonylation of cycloalkene using homogeneous rhodium catalysts with PPh3 ligand”, J CO2 Utiliz. 25, pp1-5 (2018).

19) *M. Hatanaka, A. Osawa, T. Wakabayashi, K. Morokuma, M. Hasegawa, “Computational study on the luminescence quantum yields of terbium complexes with 2,2’-bipyridine derivative ligands”, Phys. Chem. Chem. Phys. 20, pp 3328-3333 (2018).

18) *M. Hatanaka,“自動反応経路探索を用いる不斉触媒反応の機構解明と機械学習による効率的解析”, J. Comput. Chem. Jpn. 16, pp163-164 (2017).

17) N. Hayakawa, K. Sadamori, S. Tsujimoto, *M. Hatanaka, T. Wakabayashi, *T. Matsuo,“Cleavage of a P=P Double Bond Mediated by N-Hetrocyclic Carbenes”, Angew. Chem. Int. Ed. 56, pp 5765-5769 (2017).

16) Y. Hiranoi, M. Hatanaka, *K. Nakano,“Multinuclear Cobalt–salen Complexes with Phenylene Linker for Epoxide Polymerizations”, J. Polym. Sci. A Polym. Chem. 55, pp 2150-2159 (2017).

15) *M. Hatanaka, Y. Hirai, Y. Kitagawa, T. Nakanishi, *Y. Hasegawa, *K. Morokuma, “Organic linkers control the thermosensitivity of the emission intensities from Tb(III) and Eu(III) in a chameleon polymer”, Chem. Sci. 8, pp 423-429 (2017).

書籍

1) 畑中美穂,“マテリアルズ・インフォマティクスにおけるデータの取り扱い”,“マテリアルズ・インフォマティクス ~データ科学と計算・実験の融合による材料開発~”第2章第1節,情報機構 (2018).

Before 2017

原著論文

14) K. Honda, T.V. Harris, M. Hatanaka, K. Morokuma, *K. Mikami, “Computational SN2-Type Mechanism for the Difluoromethylation of Lithium Enolate with Fluoroform through Bimetallic C−F Bond Dual Activation”, Chem. Eur. J. 22, pp 8796-8800 (2016).

13) W.M.C. Sameera, M. Hatanaka, T. Kitanosono, S. Kobayashi, *K. Morokuma, “The Mechanism of Iron(II)-catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Den-sity Functional Theory and Artificial Force-Induced Reaction Study” J. Am. Chem. Soc. 137, pp 11085-11094 (2015).

12) M. Puripat, R. Ramozzi, M. Hatanaka, W. Parasuk, V. Parasuk, *K. Morokuma, “The Biginelli reaction is a urea-catalyzed organocatalytic multicomponent reaction” J. Org. Chem. 80, pp 6959-6967 (2015).

11) *M. Hatanaka, *K. Morokuma, “How Can Fluctional Chiral Lanthanide (III) Complexes Achieve a High Stereoselectivity in Aqueous Mukaiyama-Aldol Reaction?”, ACS Catal. 5, pp 3731-3739 (2015).

10) *M. Hatanaka, *K. Morokuma, “Exploring the reaction coordinates for f-f emission and quenching of lanthanide complexes – thermo-sensitivity of terbium(III) luminescence” J. Chem. Theory Comput. 10, pp 4184-4188 (2014).

9) M. Hatanaka, *S. Yabushita, “Mechanisms of f–f hypersensitive transition intensities of lanthanide trihalide molecules: a spin–orbit configuration interaction study”, Theor. Chem. Acc. 133, pp 1517-1531 (2014).

8) M. Hatanaka, M. Saito, M. Fujita, *K. Morokuma, “siguma-Aromaticity in Hexa-Group 16 Atom Substituted Benzene Dications. A Theoretical Study”, J. Org. Chem. 79, pp 2640-2646 (2014).

7) M. Hatanaka, *K. Morokuma, “Role of Water in Mukaiyama-Aldol Reaction Catalyzed by Lanthanide Lewis Acid: A Computational Study” J. Am. Chem. Soc. 135, pp 13972-13979 (2013).
※ Spotlights on Recent JACS Publications, 135, pp. 13999-13999 (2013)に掲載

6) M. Hatanaka, S. Maeda, *K. Morokuma, “Sampling of Transition States for Predicting Diastereoselectivity Using Automated Search Method —Aqueous Lanthanide-Catalyzed Mukaiyama Aldol Reaction” J. Chem. Theory. Comput. 9, pp 2882-2886 (2013).

5) *S. Maeda, E. Abe, M. Hatanaka, T. Taketsugu, *K. Morokuma, “Exploring Potential Energy Surfaces of Large Systems with Artificial Force Induced Reaction Method in Combination with ONIOM and Microiteration” J. Chem. Theory Comput. 8, pp 5058-5063 (2012).

4) M. Hatanaka, *S. Yabushita, “An ab initio study on the f-f hypersensitive transition intensities of lanthanide tribromide molecules”, Chem. Phys. Lett. 504, pp 193-198 (2011).

3) M. Hatanaka, *S. Yabushita, “Theoretical Study on the f−f Transition Intensities of Lanthanide Trihalide Systems”, J. Phys. Chem. A 113, pp 12615-12625 (2009).

2) T. Ikeno, I. Iwakura, A. Shibahara, M. Hatanaka, A. Kokura, S. Tanaka, T. Nagata, *T. Yamada, “Newly Designed Catalysts for the Enantioselective Borohydride Reduction: Prediction from the Theoretical Analysis”, Chem. Lett. 36, pp 738-739 (2007).

1) I. Iwakura, M. Hatanaka, A. Kokura, H. Teraoka, T. Ikeno, T. Nagata, *T. Yamada, “The Reactive Intermediate of Catalytic Borohydride Reduction by Schiff Base-Cobalt Complexes”, Chem. Asian J. 1, pp 656-663 (2006).

総説

2) L.W. Chung, W.M.C. Sameera, R. Ramozzi, A.J. Page, M. Hatanaka, G.P. Petrova, T. Harris, X. Li, Z. Ke, F. Liu, H.-B. Li, L. Ding, *K. Morokuma, “The ONIOM Method and its Applications”, Chem. Rev. 115, pp 5678-5796 (2015).

1) 前田理, 畑中美穂, 植松遼平, 武次徹也, 諸熊奎治, “人工力誘起反応法による化学反応経路の自動探索:有機合成化学への応用と展望”, 有機合成化学協会誌, 72, pp 567-579 (2014).