A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations von Nakano, Hiroshi, Sato, Hirofumi

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Cooperative Catalysis of Noncompatible Catalysts through Compartmentalization: Wacker Oxidation and Enzymatic Reduction in a One-Pot Process in Aqueous Media von Sato, Hirofumi, Hummel, Werner, Gröger, Harald

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Theoretical and computational methodologies for understanding coordination self-assembly complexes von Takahashi, Satoshi, Iuchi, Satoru, Hiraoka, Shuichi, Sato, Hirofumi

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Ab Initio Study of Stability of Na2Fe2(SO4)3, a High Potential Na-Ion Battery Cathode Material von Shishkin, Maxim, Sato, Hirofumi

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Rational design of metal–organic cages to increase the number of components via dihedral angle control von Abe, Tsukasa, Takeuchi, Keisuke, Higashi, Masahiro, Sato, Hirofumi, Hiraoka, Shuichi

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A polarizable molecular dynamics method for electrode–electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electron... von Takahashi, Ken, Nakano, Hiroshi, Sato, Hirofumi

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Experimental and theoretical study on p-aminophenylthyil radical geminate recombination in ionic liquids; analysis using the Smoluchowski–Collins–Kimball equation von Fujii, Kaori, Yagi, Tomoaki, Nakano, Hiroshi, Sato, Hirofumi, Kimura, Yoshifumi

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A modern solvation theory: quantum chemistry and statistical chemistry von Sato, Hirofumi

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Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products von Fujii, Kaori, Nakano, Hiroshi, Sato, Hirofumi, Kimura, Yoshifumi

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Dynamics theory for molecular liquids based on an interaction site model von Kasahara, Kento, Sato, Hirofumi

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Challenges in computational evaluation of redox and magnetic properties of Fe-based sulfate cathode materials of Li- and Na-ion batteries von Shishkin, Maxim, Sato, Hirofumi

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A Catalytic Alkylation of Ketones via sp3 C-H Bond Activation von Peng, Xue, Hirao, Yuki, Yabu, Shunsuke, Sato, Hirofumi, Higashi, Masahiro, Akai, Takuya, Masaoka, Shigeyuki, Mitsunuma, Harunobu, Kanai, Motomu

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Roles of the ClC chloride channel CLH-1 in food-associated salt chemotaxis behavior of C. elegans von Park, Chanhyun, Sakurai, Yuki, Sato, Hirofumi, Kanda, Shinji, Iino, Yuichi, Kunitomo, Hirofumi

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A theory of diffusion controlled reactions in polyatomic molecule system von Kasahara, Kento, Sato, Hirofumi

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Solvation Structure of LiClO4/Ethylene Carbonate Solution near a Graphite Electrode in Lithium-ion Batteries: 3D-RISM Study von Kasahara, Kento, Sato, Hirofumi

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Energy landscape study of water splitting and H2 evolution at a ruthenium(II) pincer complex von Yoshida, Yuichiro, Yokoi, Hayato, Sato, Hirofumi

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A kinetics study of ligand substitution reaction on dinuclear platinum complexes: Stochastic versus deterministic approach von Iioka, Tatsuya, Takahashi, Satoshi, Yoshida, Yuichiro, Matsumura, Yoshihiro, Hiraoka, Shuichi, Sato, Hirofumi

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Pseudo-Jahn-Teller effect on the lowest triplet state of para-benzoquinone involving inequivalent carbonyl bonds von Nakatani, Kaho, Sato, Hirofumi, Fukuda, Ryoichi

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SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction von Kosugi, Kento, Nakano, Hiroshi, Sato, Hirofumi

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Unraveling the Role of Doping in Selective Stabilization of NaMnO2 Polymorphs: Combined Theoretical and Experimental Study von Shishkin, Maxim, Kumakura, Shinichi, Sato, Syuhei, Kubota, Kei, Komaba, Shinichi, Sato, Hirofumi

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