Rate Constant Matrix Contraction Method for Systematic Analysis of Reaction Path Networks von Sumiya, Yosuke, Maeda, Satoshi

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Finding Reaction Pathways of Type A + B → X: Toward Systematic Prediction of Reaction Mechanisms von Maeda, Satoshi, Morokuma, Keiji

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Intrinsic reaction coordinate: Calculation, bifurcation, and automated search von Maeda, Satoshi, Harabuchi, Yu, Ono, Yuriko, Taketsugu, Tetsuya, Morokuma, Keiji

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Silane- and peroxide-free hydrogen atom transfer hydrogenation using ascorbic acid and cobalt-photoredox dual catalysis von Kamei, Yuji, Seino, Yusuke, Yamaguchi, Yuto, Yoshino, Tatsuhiko, Maeda, Satoshi, Kojima, Masahiro, Matsunaga, Shigeki

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Mining hydroformylation in complex reaction network via graph theory von Takahashi, Keisuke, Satoshi, Maeda

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Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method von Maeda, Satoshi, Taketsugu, Tetsuya, Morokuma, Keiji

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Iridium-Catalyzed Asymmetric Borylation of Unactivated Methylene C(sp3)–H Bonds von Reyes, Ronald L., Iwai, Tomohiro, Maeda, Satoshi, Sawamura, Masaya

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Computational Catalysis Using the Artificial Force Induced Reaction Method von Sameera, W. M. C, Maeda, Satoshi, Morokuma, Keiji

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Photoredox/HAT-Catalyzed Dearomative Nucleophilic Addition of the CO2 Radical Anion to (Hetero)Aromatics von Mangaonkar, Saeesh R., Hayashi, Hiroki, Takano, Hideaki, Kanna, Wataru, Maeda, Satoshi, Mita, Tsuyoshi

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Early-Stage Formation of the SIFSIX-3-Zn Metal–Organic Framework: An Automated Computational Study von Skjelstad, Bastian Bjerkem, Hijikata, Yuh, Maeda, Satoshi

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A reaction route network for methanol decomposition on a Pt(111) surface von Sugiyama, Kanami, Saita, Kenichiro, Maeda, Satoshi

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Designing transformer oil immersion cooling servers for machine learning and first principle calculations von Takahashi, Keisuke, Miyazato, Itsuki, Maeda, Satoshi, Takahashi, Lauren

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Finding Reaction Pathways for Multicomponent Reactions: The Passerini Reaction is a Four-Component Reaction von Maeda, Satoshi, Komagawa, Shinsuke, Uchiyama, Masanobu, Morokuma, Keiji

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Oxidation and Reduction Pathways in the Knowles Hydroamination via a Photoredox‐Catalyzed Radical Reaction von Harabuchi, Yu, Hayashi, Hiroki, Takano, Hideaki, Mita, Tsuyoshi, Maeda, Satoshi

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A theory-driven synthesis of symmetric and unsymmetric 1,2-bis(diphenylphosphino)ethane analogues via radical difunctionalization of ethylene von Takano, Hideaki, Katsuyama, Hitomi, Hayashi, Hiroki, Kanna, Wataru, Harabuchi, Yu, Maeda, Satoshi, Mita, Tsuyoshi

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Chiral lanthanide lumino-glass for a circularly polarized light security device von Kitagawa, Yuichi, Wada, Satoshi, Islam, M. D. Jahidul, Saita, Kenichiro, Gon, Masayuki, Fushimi, Koji, Tanaka, Kazuo, Maeda, Satoshi, Hasegawa, Yasuchika

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Selecting molecules with diverse structures and properties by maximizing submodular functions of descriptors learned with graph neural networks von Nakamura, Tomohiro, Sakaue, Shinsaku, Fujii, Kaito, Harabuchi, Yu, Maeda, Satoshi, Iwata, Satoru

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Interferon-γ enhances the therapeutic effect of mesenchymal stem cells on experimental renal fibrosis von Kanai, Ryo, Nakashima, Ayumu, Doi, Shigehiro, Kimura, Tomoe, Yoshida, Ken, Maeda, Satoshi, Ishiuchi, Naoki, Yamada, Yumi, Ike, Takeshi, Doi, Toshiki, Kato, Yukio, Masaki, Takao

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Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yiel... von Harabuchi, Yu, Taketsugu, Tetsuya, Maeda, Satoshi

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Global Mapping of Equilibrium and Transition Structures on Potential Energy Surfaces by the Scaled Hypersphere Search Method:  Applications to ab Initio Surfaces of Formaldehyde an... von Maeda, Satoshi, Ohno, Koichi

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