Yu Harabuchi

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 24

Top Topics

Electron Transfer

Endovascular Treatment

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Nature chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)