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16 results in Authors: Satoshi Maeda

Theoretical and Computational Chemistry

Working Paper

Quantum chemical calculations to trace back reaction paths for the prediction of reactants

Yosuke Sumiya, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda

493

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Theoretical and Computational Chemistry

Working Paper

Global Search for Structures of Carbon Crystal Under Ultrahigh Pressure

Makito Takagi, Satoshi Maeda

338

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Theoretical and Computational Chemistry

Working Paper

Oxyl Character and Methane Hydroxylation Mechanism in Heterometallic M(O)Co3O4 Cubanes (M = Cr, Mn, Fe, Mo, Tc, Ru, Rh)

Bastian Skjelstad, Trygve Helgaker, Satoshi Maeda, David Balcells

194

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Organic Chemistry

Working Paper

Discovery of a Difluoroglycine Synthesis Method through Quantum Chemical Calculations

Tsuyoshi Mita, Yu Harabuchi, Satoshi Maeda

719

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Theoretical and Computational Chemistry

Working Paper

On accelerating reaction optimization using computational Gibbs energy barriers: A numerical consideration utilizing a computational dataset

Hiroaki Okada, Satoshi Maeda

199

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Theoretical and Computational Chemistry

Working Paper

Virtual-Ligand-Assisted Screening Strategy to Discover Enabling Ligands for Transition Metal Catalysis

Wataru Matsuoka, Yu Harabuchi, Satoshi Maeda

368

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Physical Chemistry

Working Paper

An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: A case study on electron self-exchange reactions of transition metal complexes

Akihiro Mutsuji, Kenichiro Saita, Satoshi Maeda

120

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Theoretical and Computational Chemistry

Working Paper

Theoretical Investigation of Knowles Hydroamination Based on Systematic Exploration of Oxidation/Reduction Pathways for Photoredox-Catalyzed Radical Process

Yu Harabuchi, Hiroki Hayashi, Hideaki Takano, Tsuyoshi Mita, Satoshi Maeda

342

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Theoretical and Computational Chemistry

Working Paper

Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data

Timur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, Timur Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek

626

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Physical Chemistry

Working Paper

Kinetic Prediction of Reverse Intersystem Crossing in Organic Donor–Acceptor Molecules

Naoya Aizawa, Yu Harabuchi, Satoshi Maeda, Yong-Jin Pu

851

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16 results in Satoshi Maeda in Authors: Satoshi Maeda

Quantum chemical calculations to trace back reaction paths for the prediction of reactants

Global Search for Structures of Carbon Crystal Under Ultrahigh Pressure

Oxyl Character and Methane Hydroxylation Mechanism in Heterometallic M(O)Co3O4 Cubanes (M = Cr, Mn, Fe, Mo, Tc, Ru, Rh)

Discovery of a Difluoroglycine Synthesis Method through Quantum Chemical Calculations

On accelerating reaction optimization using computational Gibbs energy barriers: A numerical consideration utilizing a computational dataset

Virtual-Ligand-Assisted Screening Strategy to Discover Enabling Ligands for Transition Metal Catalysis

An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: A case study on electron self-exchange reactions of transition metal complexes

Theoretical Investigation of Knowles Hydroamination Based on Systematic Exploration of Oxidation/Reduction Pathways for Photoredox-Catalyzed Radical Process

Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data

Kinetic Prediction of Reverse Intersystem Crossing in Organic Donor–Acceptor Molecules

16 results in Authors: Satoshi Maeda