Satoshi Maeda (Maeda Satoshi)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 88

Top Topics

Electron Transfer

Highly Efficient

Molecular Dynamics

Transition Metal

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Yu Harabuchi, Tomohiko Yokoyama, Wataru Matsuoka, Taihei Oki, Satoru Iwata, Satoshi Maeda
Differentiating the Yield of Chemical Reactions Using Parameters in First-Order Kinetic Equations to Identify Elementary Steps That Control the Reactivity from Complicated Reaction Path Networks. The journal of physical chemistry. A 128 (14) (2024)
Amit K Jaiswal, Priya Saha, Julong Jiang, Kimichi Suzuki, Anna Jasny, Bernd M Schmidt, Satoshi Maeda, Stefan Hecht, Chung-Yang Dennis Huang
Accessing a Diverse Set of Functional Red-Light Photoswitches by Selective Copper-Catalyzed Indigo N -Arylation. Journal of the American Chemical Society 146 (31) (2024)
Philippe Gantzer, Ruben Staub, Yu Harabuchi, Satoshi Maeda, Alexander Varnek
Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst. Molecular informatics (2024)
Ken Miyajima, Toshiaki Nagata, Fumitaka Mafuné, Tomoya Ichino, Satoshi Maeda, Taizo Yoshinaga, Masahide Miura, Takahiro Hayashi
Size-dependent reactivity of Rh cationic clusters to reduce NO by CO in the gas phase at high temperatures. Physical chemistry chemical physics : PCCP (2024)
Hiroaki Okada, Satoshi Maeda
On Accelerating Substrate Optimization Using Computational Gibbs Energy Barriers: A Numerical Consideration Utilizing a Computational Data Set. ACS omega 9 (6) (2024)
Yutaka Nagahata, Masato Kobayashi, Mikito Toda, Satoshi Maeda, Tetsuya Taketsugu, Tamiki Komatsuzaki
An encompassed representation of timescale hierarchies in first-order reaction network. Proceedings of the National Academy of Sciences of the United States of America 121 (21) (2024)
Shotaro Nagami, Rintaro Kaguchi, Taichi Akahane, Yu Harabuchi, Tohru Taniguchi, Kenji Monde, Satoshi Maeda, Satoshi Ichikawa, Akira Katsuyama
Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution. Nature chemistry 16 (6) (2024)
Shotaro Nagami, Rintaro Kaguchi, Taichi Akahane, Yu Harabuchi, Tohru Taniguchi, Kenji Monde, Satoshi Maeda, Satoshi Ichikawa, Akira Katsuyama
Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution. Nature chemistry (2024)
Hiroaki Okada, Satoshi Maeda
On Accelerating Substrate Optimization Using Computational Gibbs Energy Barriers: A Numerical Consideration Utilizing a Computational Data Set. ACS omega 9 (6) (2024)
Yu Harabuchi, Tomohiko Yokoyama, Wataru Matsuoka, Taihei Oki, Satoru Iwata, Satoshi Maeda
Differentiating the Yield of Chemical Reactions Using Parameters in First-Order Kinetic Equations to Identify Elementary Steps That Control the Reactivity from Complicated Reaction Path Networks. The journal of physical chemistry. A (2024)
Ken Miyajima, Toshiaki Nagata, Fumitaka Mafuné, Tomoya Ichino, Satoshi Maeda, Taizo Yoshinaga, Masahide Miura, Takahiro Hayashi
Size-dependent reactivity of Rh cationic clusters to reduce NO by CO in the gas phase at high temperatures. Physical chemistry chemical physics : PCCP 26 (17) (2024)
Zhi Jian Wang, Shu Wang, Julong Jiang, Yixin Hu, Tasuku Nakajima, Satoshi Maeda, Stephen L Craig, Jian Ping Gong
Effect of the Activation Force of Mechanophore on Its Activation Selectivity and Efficiency in Polymer Networks. Journal of the American Chemical Society 146 (19) (2024)
Ken Miyajima, Toshiaki Nagata, Fumitaka Mafuné, Tomoya Ichino, Satoshi Maeda, Taizo Yoshinaga, Masahide Miura, Takahiro Hayashi
Size-dependent reactivity of Rh cationic clusters to reduce NO by CO in the gas phase at high temperatures. Physical chemistry chemical physics : PCCP 26 (17) (2024)
Soichiro Nakatsuka, Seiji Akiyama, Yu Harabuchi, Satoshi Maeda, Yuuya Nagata
Tetraborylation of p -Benzynes Generated by the Masamune-Bergman Cyclization through Reaction Design Based on the Reaction Path Network. JACS Au 4 (7) (2024)
Takuma Ito, Satoshi Maeda, Yu Harabuchi
Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill Bifurcation. Journal of chemical theory and computation 20 (5) (2024)
Soichiro Nakatsuka, Seiji Akiyama, Yu Harabuchi, Satoshi Maeda, Yuuya Nagata
Tetraborylation of p -Benzynes Generated by the Masamune-Bergman Cyclization through Reaction Design Based on the Reaction Path Network. JACS Au 4 (7) (2024)
Shotaro Nagami, Rintaro Kaguchi, Taichi Akahane, Yu Harabuchi, Tohru Taniguchi, Kenji Monde, Satoshi Maeda, Satoshi Ichikawa, Akira Katsuyama
Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution. Nature chemistry 16 (6) (2024)
Yuma Shiratori, Julong Jiang, Koji Kubota, Satoshi Maeda, Hajime Ito
Ring Expansion of Cyclic Boronates via Oxyboration of Arynes. Journal of the American Chemical Society (2024)
Takuma Ito, Satoshi Maeda, Yu Harabuchi
Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill Bifurcation. Journal of chemical theory and computation (2024)
Yutaka Nagahata, Masato Kobayashi, Mikito Toda, Satoshi Maeda, Tetsuya Taketsugu, Tamiki Komatsuzaki
An encompassed representation of timescale hierarchies in first-order reaction network. Proceedings of the National Academy of Sciences of the United States of America 121 (21) (2024)
Yuma Shiratori, Julong Jiang, Koji Kubota, Satoshi Maeda, Hajime Ito
Ring Expansion of Cyclic Boronates via Oxyboration of Arynes. Journal of the American Chemical Society 146 (3) (2024)
Zhi Jian Wang, Shu Wang, Julong Jiang, Yixin Hu, Tasuku Nakajima, Satoshi Maeda, Stephen L Craig, Jian Ping Gong
Effect of the Activation Force of Mechanophore on Its Activation Selectivity and Efficiency in Polymer Networks. Journal of the American Chemical Society (2024)
Amit K Jaiswal, Priya Saha, Julong Jiang, Kimichi Suzuki, Anna Jasny, Bernd M Schmidt, Satoshi Maeda, Stefan Hecht, Chung-Yang Dennis Huang
Accessing a Diverse Set of Functional Red-Light Photoswitches by Selective Copper-Catalyzed Indigo N -Arylation. Journal of the American Chemical Society (2024)
Yutaka Nagahata, Masato Kobayashi, Mikito Toda, Satoshi Maeda, Tetsuya Taketsugu, Tamiki Komatsuzaki
An encompassed representation of timescale hierarchies in first-order reaction network. Proceedings of the National Academy of Sciences of the United States of America 121 (21) (2024)
Yong Zheng, Julong Jiang, Mingoo Jin, Daiyo Miura, Fei Xue Lu, Koji Kubota, Tasuku Nakajima, Satoshi Maeda, Hajime Ito, Jian Ping Gong
In Situ and Real-Time Visualization of Mechanochemical Damage in Double-Network Hydrogels by Prefluorescent Probe via Oxygen-Relayed Radical Trapping. Journal of the American Chemical Society (2023)
Akihiro Mutsuji, Kenichiro Saita, Satoshi Maeda
An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: a case study on electron self-exchange reactions of transition metal complexes. RSC advances 13 (46) (2023)
Koji Kubota, Julong Jiang, Yuri Kamakura, Reon Hisazumi, Tsubura Endo, Daiyo Miura, Shotaro Kubo, Satoshi Maeda, Hajime Ito
Using Mechanochemistry to Activate Commodity Plastics as Initiators for Radical Chain Reactions of Small Organic Molecules. Journal of the American Chemical Society (2023)
Hiroki Hayashi, Satoshi Maeda, Tsuyoshi Mita
Quantum chemical calculations for reaction prediction in the development of synthetic methodologies. Chemical science 14 (42) (2023)
Wataru Matsuoka, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda
Highly chemoselective ligands for Suzuki-Miyaura cross-coupling reaction based on virtual ligand-assisted screening. Organic & biomolecular chemistry (2023)
Koji Kubota, Julong Jiang, Yuri Kamakura, Reon Hisazumi, Tsubura Endo, Daiyo Miura, Shotaro Kubo, Satoshi Maeda, Hajime Ito
Using Mechanochemistry to Activate Commodity Plastics as Initiators for Radical Chain Reactions of Small Organic Molecules. Journal of the American Chemical Society 146 (1) (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation (2023)
Bastian Bjerkem Skjelstad, Yuh Hijikata, Satoshi Maeda
Early-Stage Formation of the SIFSIX-3-Zn Metal-Organic Framework: An Automated Computational Study. Inorganic chemistry 62 (3) (2023)
Yukihiro Murata, Cihan Özen, Satoshi Maeda, Takanori Fukushima, Yoshiaki Shoji
Skeletal rearrangement of a boron-containing annulenic molecule into a macrocycle bridged by an electronically stabilized boron cation. Chemical communications (Cambridge, England) (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation 19 (3) (2023)
Yiran Li, Bin Xue, Jiahui Yang, Julong Jiang, Jing Liu, Yanyan Zhou, Junsheng Zhang, Mengjiao Wu, Yuan Yuan, Zhenshu Zhu, Zhi Jian Wang, Yulan Chen, Yu Harabuchi, Tasuku Nakajima, Wei Wang, Satoshi Maeda, Jian Ping Gong, Yi Cao
Azobenzene as a photoswitchable mechanophore. Nature chemistry (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation 19 (3) (2023)
Bastian Bjerkem Skjelstad, Yuh Hijikata, Satoshi Maeda
Early-Stage Formation of the SIFSIX-3-Zn Metal-Organic Framework: An Automated Computational Study. Inorganic chemistry 62 (3) (2023)
Bastian Bjerkem Skjelstad, Yuh Hijikata, Satoshi Maeda
Early-Stage Formation of the SIFSIX-3-Zn Metal-Organic Framework: An Automated Computational Study. Inorganic chemistry (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation 19 (3) (2023)
Xihong Wang, Chi Feng, Julong Jiang, Satoshi Maeda, Koji Kubota, Hajime Ito
Stereospecific synthesis of silicon-stereogenic optically active silylboranes and general synthesis of chiral silyl Anions. Nature communications 14 (1) (2023)
Taisuke Hasegawa, Satoshi Hagiwara, Minoru Otani, Satoshi Maeda
A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid-Liquid Interface. The journal of physical chemistry letters (2023)
Bastian Bjerkem Skjelstad, Yuh Hijikata, Satoshi Maeda
Early-Stage Formation of the SIFSIX-3-Zn Metal-Organic Framework: An Automated Computational Study. Inorganic chemistry 62 (3) (2023)
Kimichi Suzuki, Satoshi Maeda
Multistructural microiteration combined with QM/MM-ONIOM electrostatic embedding. Physical chemistry chemical physics : PCCP 24 (27) (2022)
Yosuke Sumiya, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda
Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants. JACS Au 2 (5) (2022)
Takuma Ito, Satoshi Maeda, Yu Harabuchi
Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels-Alder Reaction. Journal of chemical theory and computation 18 (3) (2022)
Zhi Jian Wang, Julong Jiang, Qifeng Mu, Satoshi Maeda, Tasuku Nakajima, Jian Ping Gong
Azo-Crosslinked Double-Network Hydrogels Enabling Highly Efficient Mechanoradical Generation. Journal of the American Chemical Society 144 (7) (2022)
Naoya Aizawa, Yong-Jin Pu, Yu Harabuchi, Atsuko Nihonyanagi, Ryotaro Ibuka, Hiroyuki Inuzuka, Barun Dhara, Yuki Koyama, Ken-Ichi Nakayama, Satoshi Maeda, Fumito Araoka, Daigo Miyajima
Delayed fluorescence from inverted singlet and triplet excited states. Nature 609 (7927) (2022)
Ronald L Reyes, Tomohiro Iwai, Satoshi Maeda, Masaya Sawamura
Retraction of "Iridium-Catalyzed Asymmetric Borylation of Unactivated Methylene C(sp 3 )-H Bonds". Journal of the American Chemical Society 144 (23) (2022)
Yu Harabuchi, Hiroki Hayashi, Hideaki Takano, Tsuyoshi Mita, Satoshi Maeda
Oxidation and Reduction Pathways in the Knowles Hydroamination via a Photoredox-Catalyzed Radical Reaction. Angewandte Chemie (International ed. in English) (2022)
Yong You, Wataru Kanna, Hideaki Takano, Hiroki Hayashi, Satoshi Maeda, Tsuyoshi Mita
Electrochemical Dearomative Dicarboxylation of Heterocycles with Highly Negative Reduction Potentials. Journal of the American Chemical Society 144 (8) (2022)
Hideaki Takano, Hitomi Katsuyama, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
A theory-driven synthesis of symmetric and unsymmetric 1,2-bis(diphenylphosphino)ethane analogues via radical difunctionalization of ethylene. Nature communications 13 (1) (2022)
Ryo Shikata, Hiroo Suzuki, Yuta Hayashi, Taisuke Hasegawa, Yuho Shigeeda, Hirotaka Inoue, Wataru Yajima, Jun Kametaka, Mitsuaki Maetani, Yuichiro Tanaka, Takeshi Nishikawa, Satoshi Maeda, Yasuhiko Hayashi, Masaki Hada
Enhancement of the mechanical and thermal transport properties of carbon nanotube yarns by boundary structure modulation. Nanotechnology 33 (23) (2022)
Tsuyoshi Mita, Hideaki Takano, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, Kendall N Houk, Satoshi Maeda
Prediction of High-Yielding Single-Step or Cascade Pericyclic Reactions for the Synthesis of Complex Synthetic Targets. Journal of the American Chemical Society (2022)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Leveraging algorithmic search in quantum chemical reaction path finding. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Hiroki Hayashi, Hideaki Takano, Hitomi Katsuyama, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2 : Computational Design, Scope, and Applications. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (39) (2021)
Shin-Nosuke Kinoshita, Yu Harabuchi, Yoshiya Inokuchi, Satoshi Maeda, Masahiro Ehara, Kaoru Yamazaki, Takayuki Ebata
Substitution effect on the nonradiative decay and trans → cis photoisomerization route: a guideline to develop efficient cinnamate-based sunscreens. Physical chemistry chemical physics : PCCP 23 (2) (2021)
Wataru Kanna, Yu Harabuchi, Hideaki Takano, Hiroki Hayashi, Satoshi Maeda, Tsuyoshi Mita
Carboxylation of a Palladacycle Formed via C(sp3 )-H Activation: Theory-Driven Reaction Design. Chemistry, an Asian journal (2021)
Kanami Sugiyama, Kenichiro Saita, Satoshi Maeda
A reaction route network for methanol decomposition on a Pt(111) surface. Journal of computational chemistry 42 (30) (2021)
Timur R Gimadiev, Ramil I Nugmanov, Dinar Batyrshin, Timur I Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexander Varnek
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data. Journal of chemical information and modeling 61 (2) (2021)
Hiroki Hayashi, Hideaki Takano, Hitomi Katsuyama, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2 : Computational Design, Scope, and Applications. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (39) (2021)
Keisuke Takahashi, Satoshi Maeda
Mining hydroformylation in complex reaction network via graph theory. RSC advances 11 (38) (2021)
Yuji Kamei, Yusuke Seino, Yuto Yamaguchi, Tatsuhiko Yoshino, Satoshi Maeda, Masahiro Kojima, Shigeki Matsunaga
Silane- and peroxide-free hydrogen atom transfer hydrogenation using ascorbic acid and cobalt-photoredox dual catalysis. Nature communications 12 (1) (2021)
Yukihiro Murata, Kenta Matsunagi, Junki Kashida, Yoshiaki Shoji, Cihan Özen, Satoshi Maeda, Takanori Fukushima
Observation of Borane-Olefin Proximity Interaction Governing the Structure and Reactivity of Boron-Containing Macrocycles. Angewandte Chemie (International ed. in English) 60 (26) (2021)
Hideaki Takano, Yong You, Hiroki Hayashi, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
Radical Difunctionalization of Gaseous Ethylene Guided by Quantum Chemical Calculations: Selective Incorporation of Two Molecules of Ethylene. ACS omega 6 (49) (2021)
Hiroaki Okada, Satoshi Maeda
A Dataset of Computational Reaction Barriers for the Claisen Rearrangement: Chemical and Numerical Analysis. Molecular informatics (2021)
Rina Takahashi, Anqi Hu, Pan Gao, Yunpeng Gao, Yadong Pang, Tamae Seo, Julong Jiang, Satoshi Maeda, Hikaru Takaya, Koji Kubota, Hajime Ito
Mechanochemical synthesis of magnesium-based carbon nucleophiles in air and their use in organic synthesis. Nature communications 12 (1) (2021)
Ambara R Pradipta, Peni Ahmadi, Kazuki Terashima, Kyohei Muguruma, Motoko Fujii, Tomoya Ichino, Satoshi Maeda, Katsunori Tanaka
Targeted 1,3-dipolar cycloaddition with acrolein for cancer prodrug activation. Chemical science 12 (15) (2021)
Yoshiyuki Matsuda, Yutaro Hirano, Shinichi Mizutani, Daichi Sakai, Asuka Fujii, Satoshi Maeda, Koichi Ohno
Migrations and Catalytic Action of Water Molecules in the Ionized Formamide-(H2O)2 Cluster. The journal of physical chemistry. A 124 (14) (2020)
Naoya Aizawa, Yu Harabuchi, Satoshi Maeda, Yong-Jin Pu
Kinetic prediction of reverse intersystem crossing in organic donor-acceptor molecules. Nature communications 11 (1) (2020)
Tsuyoshi Mita, Yu Harabuchi, Satoshi Maeda
Discovery of a synthesis method for a difluoroglycine derivative based on a path generated by quantum chemical calculations. Chemical science 11 (29) (2020)
Hayate Saito, Keita Yamamoto, Yosuke Sumiya, Ling-Jun Liu, Keisuke Nogi, Satoshi Maeda, Hideki Yorimitsu
Palladium-Catalyzed C-H Iodination of Arenes by Means of Sulfinyl Directing Groups. Chemistry, an Asian journal 15 (16) (2020)
Ronald L Reyes, Miyu Sato, Tomohiro Iwai, Kimichi Suzuki, Satoshi Maeda, Masaya Sawamura
Asymmetric remote C-H borylation of aliphatic amides and esters with a modular iridium catalyst. Science (New York, N.Y.) 369 (6506) (2020)
Keitaro Matsuoka, Narumi Komami, Masahiro Kojima, Tsuyoshi Mita, Kimichi Suzuki, Satoshi Maeda, Tatsuhiko Yoshino, Shigeki Matsunaga
Chemoselective Cleavage of Si-C(sp3) Bonds in Unactivated Tetraalkylsilanes Using Iodine Tris(trifluoroacetate). Journal of the American Chemical Society 143 (1) (2020)
Hitoshi Nabata, Makito Takagi, Kenichiro Saita, Satoshi Maeda
Computational searches for crystal structures of dioxides of group 14 elements (CO 2 , SiO 2 , GeO 2 ) under ultrahigh pressure. RSC advances 10 (37) (2020)
Sadaiwa Yorimoto, Akira Tsubouchi, Haruki Mizoguchi, Hideaki Oikawa, Yoshiaki Tsunekawa, Tomoya Ichino, Satoshi Maeda, Hiroki Oguri
Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds. Chemical science 10 (22) (2019)
Ronald L Reyes, Tomohiro Iwai, Satoshi Maeda, Masaya Sawamura
Iridium-Catalyzed Asymmetric Borylation of Unactivated Methylene C(sp3)-H Bonds. Journal of the American Chemical Society 141 (17) (2019)
Satoshi Maeda, Yu Harabuchi
On Benchmarking of Automated Methods for Performing Exhaustive Reaction Path Search. Journal of chemical theory and computation 15 (4) (2019)
Koki Ikemoto, Toshiki Tokuhira, Akari Uetani, Yu Harabuchi, Sota Sato, Satoshi Maeda, Hiroyuki Isobe
Fluorescence Enhancement of Aromatic Macrocycles by Lowering Excited Singlet State Energies. The Journal of organic chemistry 85 (1) (2019)
Cihan Özen, Yoshiaki Shoji, Takanori Fukushima, Satoshi Maeda
A Theoretical Study on the Mechanism of the Oxidative Deborylation/C-C Coupling Reaction of Borepin Derivatives. The Journal of organic chemistry 84 (4) (2019)
Yosuke Sumiya, Satoshi Maeda
Designing the Backbone of Hexasilabenzene Derivatives with a High Unimolecular Kinetic Stability. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (47) (2018)
Kenichiro Saita, Makito Takagi, Yu Harabuchi, Haruki Okada, Satoshi Maeda
Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal. The Journal of chemical physics 149 (7) (2018)
Maria Fumanal, Yu Harabuchi, Etienne Gindensperger, Satoshi Maeda, Chantal Daniel
Excited-State Reactivity of [Mn(im)(CO)3 (phen)]+ : A Structural Exploration. Journal of computational chemistry 40 (1) (2018)
Xiaowei Song, Matias R Fagiani, Sreekanta Debnath, Min Gao, Satoshi Maeda, Tetsuya Taketsugu, Sandy Gewinner, Wieland Schöllkopf, Knut R Asmis, Andrey Lyalin
Excess charge driven dissociative hydrogen adsorption on Ti2O4. Physical chemistry chemical physics : PCCP 19 (34) (2018)
Alexandre Marciniak, Kaoru Yamazaki, Satoshi Maeda, Maurizio Reduzzi, Victor Despré, Marius Hervé, Mehdi Meziane, Thomas A Niehaus, Vincent Loriot, Alexander I Kuleff, Baptiste Schindler, Isabelle Compagnon, Guiseppe Sansone, Franck Lépine
Ultrafast Nonadiabatic Cascade and Subsequent Photofragmentation of Extreme Ultraviolet Excited Caffeine Molecule. The journal of physical chemistry letters 9 (24) (2018)
Takeshi Iwasa, Takaaki Sato, Makito Takagi, Min Gao, Andrey Lyalin, Masato Kobayashi, Ken-Ichi Shimizu, Satoshi Maeda, Tetsuya Taketsugu
Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13. The journal of physical chemistry. A 123 (1) (2018)
Takayoshi Yoshimura, Satoshi Maeda, Tetsuya Taketsugu, Masaya Sawamura, Keiji Morokuma, Seiji Mori
Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation. Chemical science 8 (6) (2017)
Satoshi Maeda, Yu Harabuchi, Makito Takagi, Kenichiro Saita, Kimichi Suzuki, Tomoya Ichino, Yosuke Sumiya, Kanami Sugiyama, Yuriko Ono
Implementation and performance of the artificial force induced reaction method in the GRRM17 program. Journal of computational chemistry 39 (4) (2017)
Kimichi Suzuki, Keiji Morokuma, Satoshi Maeda
Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems. Journal of computational chemistry 38 (26) (2017)