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Journal of the American Chemical Society
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June 19, 2026
Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration
Takahiro Doba, Yu Harabuchi, Yuuya Nagata, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2022
Leveraging algorithmic search in quantum chemical reaction path finding
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
Journal of Chemical Theory and Computation
|
January 23, 2023
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
Faraday Discussions
|
October 7, 2016
Structural dynamics of photochemical reactions probed by time-resolved photoelectron spectroscopy using high harmonic pulses
Ryo Iikubo, Taro Sekikawa, Yu Harabuchi, et al.
Organic & Biomolecular Chemistry
|
March 28, 2023
Highly chemoselective ligands for Suzuki-Miyaura cross-coupling reaction based on virtual ligand-assisted screening
Wataru Matsuoka, Yu Harabuchi, Yuuya Nagata, et al.
The Journal of Chemical Physics
|
November 9, 2015
Response to "Comment on 'Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5"' [J. Chem. Phys. 143, 177101 (2015)]
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
JACS Au
|
June 1, 2022
Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants
Yosuke Sumiya, Yu Harabuchi, Yuuya Nagata, et al.
The Journal of Chemical Physics
|
July 10, 2015
Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
September 27, 2014
Systematic exploration of minimum energy conical intersection structures near the Franck-Condon region
Satoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, et al.
Nature Communications
|
August 9, 2020
Kinetic prediction of reverse intersystem crossing in organic donor-acceptor molecules
Naoya Aizawa, Yu Harabuchi, Satoshi Maeda, et al.
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of 7
Search research articles
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Showing results (11-20 of 66) with videos related to
Sort By:
Page
of 7
Journal of the American Chemical Society
|
June 19, 2026
Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration
Takahiro Doba, Yu Harabuchi, Yuuya Nagata, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2022
Leveraging algorithmic search in quantum chemical reaction path finding
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
Journal of Chemical Theory and Computation
|
January 23, 2023
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
Faraday Discussions
|
October 7, 2016
Structural dynamics of photochemical reactions probed by time-resolved photoelectron spectroscopy using high harmonic pulses
Ryo Iikubo, Taro Sekikawa, Yu Harabuchi, et al.
Organic & Biomolecular Chemistry
|
March 28, 2023
Highly chemoselective ligands for Suzuki-Miyaura cross-coupling reaction based on virtual ligand-assisted screening
Wataru Matsuoka, Yu Harabuchi, Yuuya Nagata, et al.
The Journal of Chemical Physics
|
November 9, 2015
Response to "Comment on 'Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5"' [J. Chem. Phys. 143, 177101 (2015)]
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
JACS Au
|
June 1, 2022
Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants
Yosuke Sumiya, Yu Harabuchi, Yuuya Nagata, et al.
The Journal of Chemical Physics
|
July 10, 2015
Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
September 27, 2014
Systematic exploration of minimum energy conical intersection structures near the Franck-Condon region
Satoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, et al.
Nature Communications
|
August 9, 2020
Kinetic prediction of reverse intersystem crossing in organic donor-acceptor molecules
Naoya Aizawa, Yu Harabuchi, Satoshi Maeda, et al.
Page
of 7