Before 2020
原著論文
33) K. Domon, M. Puripat, K. Fujiyoshi, M. Hatanaka, S. A. Kawashima, *K. Yamatsugu, *M. Kanai, “Catalytic Chemoselective O-Phosphorylation of Alcohols”, ACS Cent. Sci., 6, pp 283-292 (2020).
32) *S. Aoki, C. Kikuchi, Y. Kitagawa, Y. Hasegawa, S. Sonoike, Y. Saga, M. Hatanaka,“Evaluation of Zn2+ Coordination Structures in Chiral Zn2+ Complexes Based on Shape Measurement Factors: Relationships between Activity and the Coordination Structure”, Eur. J. Inorg. Chem., 44, pp 4740-4751 (2019).
31) A. Miyazaki, *M. Hatanaka,“The Origins of the Stereoselectivity and Enantioswitch in the Rare Earth Catalyzed Michael Addition: A Computational Study”, ChemCatChem, 11, pp 4036-4042 (2019).
30) R. Kurosaki, H. Hayashi, M. Suzuki, J. Jiang, M. Hatanaka, *N. Aratani, *H. Yamada,“A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C–C σ-bond”, Chem. Sci. 10, pp 6785-6790 (2019).
29) S. Ogata, H. Komiya, N. Goto, R. Tanabe, K. Sugimoto, S. Kawaguchi, K. Goto, M. Hatanaka, A. Ishii, *M. Hasegawa, “Strong luminescent europium complexes induced by the unprecedented anti-chelate effect of acyl groups on a N6- hexadentate ligand”, Chem. Lett. 48, pp 593-596 (2019).
28) R. Sata, H. Suzuki, N. Ueno, Y. Morisawa, M. Hatanaka, *T. Wakabayashi, “UV-polarizing linear polyyne molecules aligned in PVA”, Chinese J. Chem. Phys. 32, pp 175-181 (2019).
27) A. Endo, M. Hatanaka, N. Ueno, Y. Morisawa, *T. Wakabayashi, “Bi2Ne: Weakly bound cluster of diatomic bismuth with neon”, Low Temp. Phys. 45, pp 689-696 (2019).
26) Y. Harabuchi, M. Hatanaka, *S. Maeda, “Exploring approximate geometries of minimum energy conical intersections by TDDFT calculation”, Chem. Phys. Lett. X, 2, pp 100007 (2019).
25) S. Paria, Q.-K. Kang, M. Hatanaka, *K. Maruoka, “Design of Efficient Chiral Bifunctional Phase-Transfer Catalysts Possessing an Amino Functionality for Asymmetric Aminations”, ACS Catal. 9, pp 78-82 (2019).
24) X.-F. Wei, T. Wakaki, T. Itoh, H.-L. Li, T. Yoshimura, A. Miyazaki, K. Oisaki, *M. Hatanaka, *Y. Shimizu, *M. Kanai, “Catalytic Regio- and Enantioselective Proton Migration from Skipped Enynes to Allenes”, Chem, 5, pp 585-599 (2019).
23) *M. Hatanaka, T. Wakabayashi, “Theoretical study of lanthanide-based in vivo luminescent probes for detecting hydrogen peroxide”, J. Comput. Chem. 40, pp 500-506 (2019).
22) S. Furukawa, M. Fujita, Y. Kanatomi, M. Minoura, M. Hatanaka, K. Morokuma, K. Ishimura, *M. Saito, Double aromaticity arising from σ- and π-rings”, Commun. Chem. 1, pp 60 (2018).
21) S. Ogata, N. Goto, S. Sakurai, A. Ishii, *M. Hatanaka, K. Yoshihara, R. Tanabe, K. Kayano, R. Magaribuchi, K. Goto, *M. Hasegawa,“Alkyl chain elongation and acyl group effects in a series of Eu/Tb complexes with hexadentate π-electronic skeletons and their enhanced luminescence in solutions”,Dalton Trans. 47, pp 7135-7143 (2018).
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).
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・解説記事
6) 畑中美穂,“機械学習を用いた錯体の機能・性質の予測を目指して：要素技術と最近の取り組み”, Bulletin of Japanese Society of Coordination Chemistry, in press.
5) 畑中美穂,“マテリアルズインフォマティクスにおける最近の取り組みと課題”, 応用物理, 88(10), pp 679-682.
4) 畑中美穂,“化学におけるマテリアルズインフォマティクスの現状と課題”, 人工知能学会誌, 34(3), pp 351-357 (2019).
3) 畑中美穂,“データが少ない系におけるマテリアルズ・インフォマティクス技術の効率的活用を目指して”, 日本化学会情報化学部会誌, 36, pp 2-4 (2018).
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).
書籍
2) *M. Hatanaka, T. Yoshimura, *S. Maeda（章著）,“Artificial force induced reaction method for systematic elucidation of mechanism and selectivity in organometallic reactions”, A. Lledós, G. Ujaque ed., Topics in Organometallic Chemistry “New Directions in the Modeling of Organometallic Reactions”, Springer (2020).
1) 畑中美穂（章著），“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).