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Accessing a Diverse Set of Functional Red-Light Photoswitches by Selective Copper-Catalyzed Indigo <i>N</i>-Arylation

Journal of the American Chemical Society
2024 | Journal article
DOI: 10.1021/JACS.4C03543
WOSUID: WOS:001279680300001
Contributors: Jaiswal, Amit K.; Saha, Priya; Jiang, Julong; Suzuki, Kimichi; Jasny, Anna; Schmidt, Bernd M.; Maeda, Satoshi; Hecht, Stefan; Huang, Chung-Yang Dennis
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An encompassed representation of timescale hierarchies in first-order reaction network

Proceedings of the National Academy of Sciences
2024 | Journal article
DOI: 10.1073/PNAS.2317781121
WOSUID: WOS:001275490400004
Contributors: Nagahata, Yutaka; Kobayashi, Masato; Toda, Mikito; Maeda, Satoshi; Taketsugu, Tetsuya; Komatsuzaki, Tamiki
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Annulation Producing Diverse Heterocycles Promoted by Cobalt Hydride

ACS Catalysis
2024 | Journal article
DOI: 10.1021/ACSCATAL.4C05195
WOSUID: WOS:001330107100001
Contributors: Sugimura, Takuma; Yamada, Ren; Kanna, Wataru; Mita, Tsuyoshi; Maeda, Satoshi; Szarlan, Bartlomiej; Shigehisa, Hiroki
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Annulation Producing Diverse Heterocycles Promoted by Cobalt Hydride

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-1CSMC-V2
WOSUID: PPRN:91320272
Contributors: Sugimura, Takuma; Yamada, Ren; Kanna, Wataru; Mita, Tsuyoshi; Maeda, Satoshi; Szarlan, Bartlomiej; Shigehisa, Hiroki
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Annulation Producing Diverse Heterocycles Promoted by Cobalt Hydride

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-1CSMC
WOSUID: PPRN:91291516
Contributors: Sugimura, Takuma; Yamada, Ren; Kanna, Wataru; Mita, Tsuyoshi; Maeda, Satoshi; Szarlan, Bartlomiej; Shigehisa, Hiroki
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Bayesian Molecular Optimization for Accelerating Reverse Intersystem Crossing

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-VJL0K
WOSUID: PPRN:119254211
Contributors: Won, Taehyun; Aizawa, Naoya; Harabuchi, Yu; Kurihara, Reo; Suzuki, Mitsuharu; Maeda, Satoshi; Pu, Yong-Jin; Nakayama, Ken-ichi
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Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst

Molecular Informatics
2024 | Journal article
DOI: 10.1002/MINF.202400063
WOSUID: WOS:001286836100001
Contributors: Gantzer, Philippe; Staub, Ruben; Harabuchi, Yu; Maeda, Satoshi; Varnek, Alexandre
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Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson’s catalyst

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-ZN0G0
WOSUID: PPRN:88856678
Contributors: Gantzer, Philippe; Staub, Ruben; Harabuchi, Yu; Maeda, Satoshi; Varnek, Alexandre
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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 | Journal article
DOI: 10.1021/ACS.JPCA.4C00204
WOSUID: WOS:001195916400001
Contributors: Harabuchi, Yu; Yokoyama, Tomohiko; Matsuoka, Wataru; Oki, Taihei; Iwata, Satoru; Maeda, Satoshi
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Direct arylation of alkyl fluorides using in situ mechanochemically generated calcium-based heavy Grignard reagents

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-TS0LM
WOSUID: PPRN:88012338
Contributors: Gao, Pan; Jiang, Julong; Fukuzawa, Yamato; Maeda, Satoshi; Kubota, Koji; Ito, Hajime
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Effect of the Activation Force of Mechanophore on Its Activation Selectivity and Efficiency in Polymer Networks

Journal of the American Chemical Society
2024 | Journal article
DOI: 10.1021/JACS.4C01879
WOSUID: WOS:001225436400001
Contributors: Wang, Zhi Jian; Wang, Shu; Jiang, Julong; Hu, Yixin; Nakajima, Tasuku; Maeda, Satoshi; Craig, Stephen L.; Gong, Jian Ping
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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 | Journal article
DOI: 10.1021/ACS.JCTC.3C01383
WOSUID: WOS:001163342200001
Contributors: Ito, Takuma; Maeda, Satoshi; Harabuchi, Yu
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Mechanistic Exploration of <i>N</i>-Heterocyclic Carbene Boranes as the Hydrogen Atom Transfer Reagent in Selective Hydrodefluorination Reactions

ACS Catalysis
2024 | Journal article
DOI: 10.1021/ACSCATAL.4C05092
WOSUID: WOS:001354982600001
Contributors: Jaiswal, Amit K.; Skjelstad, Bastian Bjerkem; Maeda, Satoshi; Huang, Dennis Chung-Yang
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Mechanistic Exploration of N-Heterocyclic Carbene Boranes as the Hydrogen Atom Transfer Reagent in Selective Hydro-defluorination Reactions

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-SWJBT
WOSUID: PPRN:91461401
Contributors: Jaiswal, Amit Kumar; Skjelstad, Bastian Bjerkem; Maeda, Satoshi; Huang, Chung-Yang Dennis
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Mechanochemical generation of aryl barium nucleophiles from unactivated barium metal

Chemical Science
2024 | Journal article
DOI: 10.1039/D4SC05361C
WOSUID: WOS:001324617600001
Contributors: Kubota, Koji; Kawamura, Sota; Jiang, Julong; Maeda, Satoshi; Ito, Hajime
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On Accelerating Substrate Optimization Using Computational Gibbs Energy Barriers: A Numerical Consideration Utilizing a Computational Data Set

ACS Omega
2024 | Journal article
DOI: 10.1021/ACSOMEGA.3C09066
WOSUID: WOS:001161279600001
Contributors: Okada, Hiroaki; Maeda, Satoshi
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Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution

Nature Chemistry
2024 | Journal article
DOI: 10.1038/S41557-024-01461-9
WOSUID: WOS:001175203600001
Contributors: Nagami, Shotaro; Kaguchi, Rintaro; Akahane, Taichi; Harabuchi, Yu; Taniguchi, Tohru; Monde, Kenji; Maeda, Satoshi; Ichikawa, Satoshi; Katsuyama, Akira
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Ring Expansion of Cyclic Boronates via Oxyboration of Arynes

Journal of the American Chemical Society
2024 | Journal article
DOI: 10.1021/JACS.3C11851
WOSUID: WOS:001150600100001
Contributors: Shiratori, Yuma; Jiang, Julong; Kubota, Koji; Maeda, Satoshi; Ito, Hajime
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Size-dependent reactivity of Rh cationic clusters to reduce NO by CO in the gas phase at high temperatures

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D3CP05862J
WOSUID: WOS:001204242900001
Contributors: Miyajima, Ken; Nagata, Toshiaki; Mafune, Fumitaka; Ichino, Tomoya; Maeda, Satoshi; Yoshinaga, Taizo; Miura, Masahide; Hayashi, Takahiro
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Strain-based design, direct macrocyclization, and metal complexation of thiazole-containing calix[3]pyrrole analogues

Inorganic Chemistry Frontiers
2024 | Journal article
DOI: 10.1039/D4QI00684D
WOSUID: WOS:001215709300001
Contributors: Watanabe, Keita; Shibata, Kotaro; Ichino, Tomoya; Ide, Yuki; Yoneda, Tomoki; Maeda, Satoshi; Inokuma, Yasuhide
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Strain-Based Design, Direct Macrocyclization, and Metal Complexation of Thiazole-Containing Calix[3]pyrrole Analogues

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-6NQNQ
WOSUID: PPRN:87310720
Contributors: Watanabe, Keita; Shibata, Kotaro; Ichino, Tomoya; Ide, Yuki; Yoneda, Tomoki; Maeda, Satoshi; Inokuma, Yasuhide
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Systematic and unbiased pathway exploration by artificial force application to a generic neural network potential

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-9H20V
WOSUID: PPRN:88897587
Contributors: Ichino, Tomoya; Nabata, Hitoshi; Matsumoto, Kota; Hasegawa, Taisuke; Maeda, Satoshi
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Tetraborylation of <i>p</i>-Benzynes Generated by the Masamune-Bergman Cyclization through Reaction Design Based on the Reaction Path Network

JACS Au
2024 | Journal article
DOI: 10.1021/JACSAU.4C00302
WOSUID: WOS:001252216800001
Contributors: Nakatsuka, Soichiro; Akiyama, Seiji; Harabuchi, Yu; Maeda, Satoshi; Nagata, Yuuya
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Theory-driven Discovery of Thermally Stable Mechanophore for Self-strengthening Materials

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-7KF7H
WOSUID: PPRN:119140937
Contributors: Jiang, Julong; Wang, Zhi Jian; Staub, Ruben; Harabuchi, Yu; Varnek, Alexandre; Gong, Jian Ping; Maeda, Satoshi
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Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering

ACS Catalysis
2024 | Journal article
DOI: 10.1021/ACSCATAL.4C06003
WOSUID: WOS:001340164500001
Contributors: Matsuoka, Wataru; Oki, Taihei; Yamada, Ren; Yokoyama, Tomohiko; Suda, Shinichi; Saunders, Carla M.; Skjelstad, Bastian Bjerkem; Harabuchi, Yu; Fey, Natalie; Iwata, Satoru et al.
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Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering

ChemRxiv
2024 | Journal article
DOI: 10.26434/CHEMRXIV-2024-6WWW6
WOSUID: PPRN:88640510
Contributors: Matsuoka, Wataru; Oki, Taihei; Yamada, Ren; Yokoyama, Tomohiko; Suda, Shinichi; Harabuchi, Yu; Iwata, Satoru; Maeda, Satoshi
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γ-Butyrolactone Synthesis from Allylic Alcohols Using the CO<sub>2</sub> Radical Anion

Precision Chemistry
2024 | Journal article
DOI: 10.1021/PRECHEM.3C00117
WOSUID: WOS:001286051600001
Contributors: Mangaonkar, Saeesh R.; Hayashi, Hiroki; Kanna, Wataru; Debbarma, Suvankar; Harabuchi, Yu; Maeda, Satoshi; Mita, Tsuyoshi
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A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid-Liquid Interface

Journal of Physical Chemistry Letters
2023 | Journal article
DOI: 10.1021/ACS.JPCLETT.3C02233
WOSUID: WOS:001071969800001
Contributors: Hasegawa, Taisuke; Hagiwara, Satoshi; Otani, Minoru; Maeda, Satoshi
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An Electron-Deficient Cp-E Iridium(III) Catalyst: Synthesis, Characterization, and Application to Ether-Directed C-H Amidation

Angewandte Chemie International Edition
2023 | Journal article
DOI: 10.1002/ANIE.202301259
WOSUID: WOS:000971945700001
Contributors: Tomita, Eiki; Kojima, Masahiro; Nagashima, Yuki; Tanaka, Ken; Sugiyama, Haruki; Segawa, Yasutomo; Furukawa, Atsushi; Maenaka, Katsumi; Maeda, Satoshi; Yoshino, Tatsuhiko et al.
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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
2023 | Journal article
DOI: 10.1039/D3RA05784D
WOSUID: WOS:001090977500001
Contributors: Mutsuji, Akihiro; Saita, Kenichiro; Maeda, Satoshi
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Azobenzene as a photoswitchable mechanophore

Nature Chemistry
2023 | Journal article
DOI: 10.1038/S41557-023-01389-6
WOSUID: WOS:001114309600002
Contributors: Li, Yiran; Xue, Bin; Yang, Jiahui; Jiang, Julong; Liu, Jing; Zhou, Yanyan; Zhang, Junsheng; Wu, Mengjiao; Yuan, Yuan; Zhu, Zhenshu et al.
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Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson's Catalyst Case

Molecules
2023 | Journal article
DOI: 10.3390/MOLECULES28114477
WOSUID: WOS:001004964700001
Contributors: Staub, Ruben; Gantzer, Philippe; Harabuchi, Yu; Maeda, Satoshi; Varnek, Alexandre
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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

ChemRxiv
2023 | Journal article
DOI: 10.26434/CHEMRXIV-2023-CL8TR
WOSUID: PPRN:86566915
Contributors: Harabuchi, Yu; Yokoyama, Tomohiko; Matsuoka, Wataru; Oki, Taihei; Iwata, Satoru; Maeda, Satoshi
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Early-Stage Formation of the SIFSIX-3-Zn Metal-Organic Framework: An Automated Computational Study

Inorganic Chemistry
2023 | Journal article
DOI: 10.1021/ACS.INORGCHEM.2C03681
WOSUID: WOS:000917045300001
Contributors: Skjelstad, Bastian Bjerkem; Hijikata, Yuh; Maeda, Satoshi
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Exploring the Quantum Chemical Energy Landscape with GNN- Guided Artificial Force

Journal of Chemical Theory and Computation
2023 | Journal article
DOI: 10.1021/ACS.JCTC.2C01061
WOSUID: WOS:000923853800001
Contributors: Nakao, Atsuyuki; Harabuchi, Yu; Maeda, Satoshi; Tsuda, Koji
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Frontispiece: Synthesis of Bicyclo[1.1.1]pentane (BCP)-Based Straight-Shaped Diphosphine Ligands

Angewandte Chemie International Edition
2023 | Journal article
DOI: 10.1002/ANIE.202382362
WOSUID: WOS:001058383300096
Contributors: Takano, Hideaki; Katsuyama, Hitomi; Hayashi, Hiroki; Harukawa, Miyu; Tsurui, Makoto; Shoji, Sunao; Hasegawa, Yasuchika; Maeda, Satoshi; Mita, Tsuyoshi
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Highly chemoselective ligands for Suzuki-Miyaura cross-coupling reaction based on virtual ligand-assisted screening

Organic & Biomolecular Chemistry
2023 | Journal article
DOI: 10.1039/D3OB00398A
WOSUID: WOS:000957164100001
Contributors: Matsuoka, Wataru; Harabuchi, Yu; Nagata, Yuuya; Maeda, Satoshi
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Highly Chemoselective Ligands for Suzuki-Miyaura Cross-Coupling Reaction Based on Virtual Ligand-Assisted Screening

ChemRxiv
2023 | Journal article
DOI: 10.26434/CHEMRXIV-2023-Q0J6M
WOSUID: PPRN:35794990
Contributors: Matsuoka, Wataru; Harabuchi, Yu; Nagata, Yuuya; Maeda, Satoshi
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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 | Journal article
DOI: 10.1021/JACS.2C13764
WOSUID: WOS:000959539200001
Contributors: Zheng, Yong; Jiang, Julong; Jin, Mingoo; Miura, Daiyo; Lu, Fei Xue; Kubota, Koji; Nakajima, Tasuku; Maeda, Satoshi; Ito, Hajime; Gong, Jian Ping
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Oxidation and Reduction Pathways in the Knowles Hydroamination via a Photoredox-Catalyzed Radical Reaction

Angewandte Chemie International Edition
2023 | Journal article
DOI: 10.1002/ANIE.202211936
WOSUID: WOS:000891202300001
Contributors: Harabuchi, Yu; Hayashi, Hiroki; Takano, Hideaki; Mita, Tsuyoshi; Maeda, Satoshi
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Photoredox/HAT-Catalyzed Dearomative Nucleophilic Addition of the CO2 Radical Anion to (Hetero)Aromatics

ACS Catalysis
2023 | Journal article
DOI: 10.1021/ACSCATAL.2C06192
WOSUID: WOS:000928668600001
Contributors: Mangaonkar, Saeesh R.; Hayashi, Hiroki; Takano, Hideaki; Kanna, Wataru; Maeda, Satoshi; Mita, Tsuyoshi
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Searching chemical action and network (SCAN): an interactive chemical reaction path network platform

Digital Discovery
2023 | Journal article
DOI: 10.1039/D3DD00026E
WOSUID: WOS:001101648500001
Contributors: Kuwahara, Mikael; Harabuchi, Yu; Maeda, Satoshi; Fujima, Jun; Takahashi, Keisuke
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Skeletal rearrangement of a boron-containing annulenic molecule into a macrocycle bridged by an electronically stabilized boron cation

Chemical Communications
2023 | Journal article
DOI: 10.1039/D3CC04830F
WOSUID: WOS:001101904900001
Contributors: Murata, Yukihiro; Ozen, Cihan; Maeda, Satoshi; Fukushima, Takanori; Shoji, Yoshiaki
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Stereospecific synthesis of silicon-stereogenic optically active silylboranes and general synthesis of chiral silyl Anions

Nature Communications
2023 | Journal article
DOI: 10.1038/S41467-023-41113-Z
WOSUID: WOS:001066679400013
Contributors: Wang, Xihong; Feng, Chi; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime
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Synthesis of BCP-Based Straight-Shaped Diphosphine Ligands

ChemRxiv
2023 | Journal article
DOI: 10.26434/CHEMRXIV-2023-07RDD
WOSUID: PPRN:35794974
Contributors: Takano, Hideaki; Katsuyama, Hitomi; Hayashi, Hiroki; Harukawa, Miyu; Tsurui, Makoto; Shoji, Sunao; Hasegawa, Yasuchika; Maeda, Satoshi; Mita, Tsuyoshi
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Synthesis of Bicyclo[1.1.1]pentane (BCP)-Based Straight-Shaped Diphosphine Ligands

Angewandte Chemie International Edition
2023 | Journal article
DOI: 10.1002/ANIE.202303435
WOSUID: WOS:000972548500001
Contributors: Takano, Hideaki; Katsuyama, Hitomi; Hayashi, Hiroki; Harukawa, Miyu; Tsurui, Makoto; Shoji, Sunao; Hasegawa, Yasuchika; Maeda, Satoshi; Mita, Tsuyoshi
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Systematic search for thermal decomposition pathways of formic acid on anatase TiO<sub>2</sub> (101) surface

ChemRxiv
2023 | Journal article
DOI: 10.26434/CHEMRXIV-2023-3KK16
WOSUID: PPRN:42083308
Contributors: Nabata, Hitoshi; Maeda, Satoshi
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Systematic Search for Thermal Decomposition Pathways of Formic Acid on Anatase TiO<sub>2</sub> (101) Surface

ChemCatChem
2023 | Journal article
DOI: 10.1002/CCTC.202300752
WOSUID: WOS:001061554700001
Contributors: Nabata, Hitoshi; Maeda, Satoshi
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Toward Ab Initio Reaction Discovery Using the Artificial Force Induced Reaction Method

Annual Review of Physical Chemistry
2023 | Journal article
DOI: 10.1146/ANNUREV-PHYSCHEM-102822-101025
WOSUID: WOS:000973629300013
Contributors: Maeda, Satoshi; Harabuchi, Yu; Hayashi, Hiroki; Mita, Tsuyoshi
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Using Mechanochemistry to Activate Commodity Plastics as Initiators for Radical Chain Reactions of Small Organic Molecules

Journal of the American Chemical Society
2023 | Journal article
DOI: 10.1021/JACS.3C12049
WOSUID: WOS:001140802600001
Contributors: Kubota, Koji; Jiang, Julong; Kamakura, Yuri; Hisazumi, Reon; Endo, Tsubura; Miura, Daiyo; Kubo, Shotaro; Maeda, Satoshi; Ito, Hajime
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Peer review (44 reviews for 11 publications/grants)

Review activity for ACS catalysis. (5)
Review activity for ACS omega. (1)
Review activity for Journal of chemical theory and computation : (11)
Review activity for Journal of organic chemistry. (2)
Review activity for Journal of physical chemistry. (3)
Review activity for Journal of the American Chemical Society. (8)
Review activity for Organic letters. (1)
Review activity for Organometallics. (1)
Review activity for The journal of physical chemistry letters. (1)
Review activity for The journal of physical chemistry. (1)
Review activity for The journal of physical chemistry. (10)
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